#------------------------------------------------------------------------------
#$Date: 2025-07-01 14:40:19 +0300 (Tue, 01 Jul 2025) $
#$Revision: 1310 $
#$URL: svn://crystallography.net/testcod/cif/4/10/00/4100026.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4100026
loop_
_publ_author_name
'Dodin, Mathias'
'Paillaud, Jean-Louis'
'Lorgouilloux, Yannnick'
'Caullet, Philippe'
'Elkaïm, Erik'
'Bats, Nicolas'
_publ_section_title
;
 A Zeolitic Material with a Three-Dimensional Pore System Formed by
 Straight 12- and 10-Ring Channels Synthesized with an Imidazolium
 Derivative as Structure-Directing Agent
;
_journal_issue                   30
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10221
_journal_page_last               10223
_journal_paper_doi               10.1021/ja103648k
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'Ge0.74 O5.57 Si1.76'
_chemical_formula_weight         192.45
_space_group_IT_number           47
_space_group_name_Hall           '-P 2 2'
_space_group_name_H-M_alt        'P m m m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P m m m'
_audit_creation_date             2010-04-19T09:06
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2010-04-19T09:06  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            24
_cell_length_a                   25.1611(5)
_cell_length_b                   12.70129(13)
_cell_length_c                   11.60014(8)
_cell_volume                     3707.15(9)
_computing_structure_refinement  GSAS
_diffrn_radiation_polarisn_ratio 0.02
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.7294
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_pd_block_id
2010-04-19T09:06|IM20CALC|paillaud|synchrotron_Soleil
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.004
_pd_meas_2theta_range_max        39.992
_pd_meas_2theta_range_min        0.0
_pd_meas_number_of_points        9999
_pd_phase_name                   IM-20
_pd_proc_2theta_range_inc        0.004
_pd_proc_2theta_range_max        39.992
_pd_proc_2theta_range_min        0.0
_pd_proc_info_datetime           2010-04-19T09:06:49
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 24 terms.
 Shifted Chebyshev function of 1st kind
      1:    1000.54     2:   -9.75088     3:    12.6604     4:   -5.13315    
      5:   -3.76327     6:    4.51227     7:  -0.304611     8:  -0.527988    
      9:    3.56756    10:   0.930935    11:   -2.00683    12:   0.198212    
     13:   -2.16003    14:    2.42120    15:  -0.964527    16:  -0.194411    
     17:   -4.20990    18:    5.31678    19:   -2.48949    20:   -2.06973    
     21:    3.17372    22:    2.22234    23:  -0.423615    24:    1.71271    
;
_pd_proc_ls_peak_cutoff          0.00400
_pd_proc_ls_profile_function
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =   37.544 #2(GV)   =  -15.238 #3(GW)   = -164.574
 #4(GP)   =  165.008 #5(LX)   =    0.788 #6(LY)   =   23.952
 #7(S/L)  =   0.0017 #8(H/L)  =   0.0014
 #9(trns) =    -0.11 #10(shft)=  -0.2184
 #11(stec)=    86.02 #12(ptec)=    -0.46 #13(sfec)=     0.00
 #14(L11) =    0.039 #15(L22) =   -0.107 #16(L33) =   -0.774
 #17(L12) =    0.036 #18(L13) =    0.115 #19(L23) =   -0.097
 Peak tails are ignored  where the intensity is below 0.0040 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0174
_pd_proc_ls_prof_wR_expected     0.0303
_pd_proc_ls_prof_wR_factor       0.0252
_pd_proc_number_of_points        9999
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.03
_refine_ls_matrix_type           full
_refine_ls_number_parameters     101
_refine_ls_number_restraints     116
_refine_ls_R_Fsqd_factor         0.10927
_refine_ls_shift/su_max          0.31
_refine_ls_shift/su_mean         0.07
_reflns_d_resolution_high        1.181
_reflns_d_resolution_low         25.161
_reflns_limit_h_max              21
_reflns_limit_h_min              0
_reflns_limit_k_max              11
_reflns_limit_k_min              0
_reflns_limit_l_max              10
_reflns_limit_l_min              0
_reflns_number_total             1398
_cod_data_source_file            ja103648k_si_002.cif
_cod_data_source_block           IM20CALC_publ
_cod_original_cell_volume        3707.16(8)
_cod_database_code               4100026
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,+z
3 +x,-y,+z
4 -x,-y,+z
-1 -x,-y,-z
-2 +x,-y,-z
-3 -x,+y,-z
-4 +x,+y,-z
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Ge Ge1 0.05981(20) 0.1261(4) 0.3678(5) 0.105(6) Uiso 0.0234(11) 8
Ge Ge2 0.34464(26) 0.37632(27) 0.36157(29) 0.689(9) Uiso 0.0234(11) 8
Ge Ge3 0.21865(28) 0.37711(27) 0.36219(29) 0.594(9) Uiso 0.0234(11) 8
Si Si4 0.19460(33) 0.12588(34) 0.0 0.824(14) Uiso 0.0234(11) 4
Si Si5 0.32368(30) 0.12597(34) 0.0 0.638(14) Uiso 0.0234(11) 4
Si Si6 0.5 0.1251(4) 0.1364(4) 0.936(11) Uiso 0.0234(11) 4
Si Si7 0.38758(18) 0.19222(34) 0.2216(4) 0.815(12) Uiso 0.0234(11) 8
Si Si8 0.15961(22) 0.1941(4) 0.2456(4) 0.845(12) Uiso 0.0234(11) 8
Si Si9 0.34799(34) 0.0 0.36303(34) 0.939(15) Uiso 0.0234(11) 4
Si Si10 0.21982(35) 0.0 0.36233(33) 0.660(14) Uiso 0.0234(11) 4
O O1 0.3573(5) 0.34674(20) 0.5 1.0 Uiso 0.027(4) 4
O O2 0.25968(33) 0.1449(6) 0.0 1.0 Uiso 0.027(4) 4
O O3 0.5 0.1384(9) 0.0 1.0 Uiso 0.027(4) 2
O O4 0.2058(5) 0.34683(20) 0.5 1.0 Uiso 0.027(4) 4
O O5 0.2045(4) 0.5 0.33242(22) 1.0 Uiso 0.027(4) 4
O O6 0.1816(4) 0.0 0.0 1.0 Uiso 0.027(4) 2
O O7 0.2846(4) 0.0 0.33325(21) 1.0 Uiso 0.027(4) 4
O O8 0.5 0.0 0.16832(22) 1.0 Uiso 0.027(4) 2
O O9 0.1813(4) 0.3068(5) 0.2796(6) 1.0 Uiso 0.027(4) 8
O O10 0.28151(29) 0.3528(6) 0.33188(22) 1.0 Uiso 0.027(4) 8
O O11 0.1676(4) 0.1800(5) -0.11199(31) 1.0 Uiso 0.027(4) 8
O O12 0.1931(4) 0.10469(30) 0.3075(5) 1.0 Uiso 0.027(4) 8
O O13 0.2067(4) 0.0 0.5 1.0 Uiso 0.027(4) 2
O O14 0.37451(34) 0.10298(30) 0.3097(5) 1.0 Uiso 0.027(4) 8
O O15 0.44739(15) 0.1821(5) 0.1870(6) 1.0 Uiso 0.027(4) 8
O O16 0.3602(4) 0.0 0.5 1.0 Uiso 0.027(4) 2
O O17 0.38083(30) 0.3030(5) 0.2786(6) 1.0 Uiso 0.027(4) 8
O O18 0.34912(30) 0.1806(5) 0.11246(32) 1.0 Uiso 0.027(4) 8
O O19 0.3594(4) 0.5 0.33223(22) 1.0 Uiso 0.027(4) 4
O O20 0.0 0.15348(20) 0.33213(22) 1.0 Uiso 0.027(4) 4
O O21 0.09743(25) 0.1859(9) 0.2794(7) 1.0 Uiso 0.027(4) 8
O O22 0.0697(5) 0.0 0.3573(20) 1.0 Uiso 0.027(4) 4
O O23 0.0714(4) 0.1649(16) 0.5 1.0 Uiso 0.027(4) 4
O O24 0.3365(4) 0.0 0.0 1.0 Uiso 0.027(4) 2
O Ow1 0.0708(26) 0.3744(17) 0.2541(27) 0.633(19) Uiso 0.085 8
O Ow2 0.0342(20) 0.0988(23) 0.1105(26) 0.743(14) Uiso 0.085 8
Si Si1 0.05981(20) 0.1261(4) 0.3678(5) 0.895(6) Uiso 0.0234(11) 8
Si Si2 0.34464(26) 0.37632(27) 0.36157(29) 0.311(9) Uiso 0.0234(11) 8
Si Si3 0.21865(28) 0.37711(27) 0.36219(29) 0.406(9) Uiso 0.0234(11) 8
Ge Ge4 0.19460(33) 0.12588(34) 0.0 0.176(14) Uiso 0.0234(11) 4
Ge Ge6 0.5 0.1251(4) 0.1364(4) 0.064(11) Uiso 0.0234(11) 4
Ge Ge8 0.15961(22) 0.1941(4) 0.2456(4) 0.155(12) Uiso 0.0234(11) 8
Ge Ge10 0.21982(35) 0.0 0.36233(33) 0.340(14) Uiso 0.0234(11) 4
O Ow3 0.5 0.3352(12) 0.0 0.27(4) Uiso 0.085 2
Ge Ge5 0.32368(30) 0.12597(34) 0.0 0.362(14) Uiso 0.0234(11) 4
Ge Ge7 0.38767(18) 0.19169(34) 0.2220(4) 0.185(12) Uiso 0.0234(11) 8
Ge Ge9 0.34799(34) 0.0 0.36303(34) 0.061(15) Uiso 0.0234(11) 4
O Ow4 0.2814(5) 0.2196(11) 0.5 0.546(31) Uiso 0.085 4
loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
Ge 17.844 0.000 0.000 16.0816 2.85090 6.37470 0.25160 3.70680 11.4468 3.68300
54.7625 2.13130 International_Tables_Vol_C
Si 42.156 0.000 0.000 6.29150 2.43860 3.03530 32.3337 1.98910 0.67850 1.54100
81.6937 1.14070 International_Tables_Vol_C
O 133.734 0.000 0.000 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700
32.9089 0.25080 International_Tables_Vol_C
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O20 Ge1 O21 106.84(28) 1_555 . 1_555 N
O20 Ge1 O22 109.83(33) 1_555 . 1_555 N
O20 Ge1 O23 110.17(33) 1_555 . 1_555 N
O21 Ge1 O22 109.35(32) 1_555 . 1_555 N
O21 Ge1 O23 110.74(31) 1_555 . 1_555 N
O22 Ge1 O23 109.86(33) 1_555 . 1_555 N
O1 Ge2 O10 109.97(32) 1_555 . 1_555 N
O1 Ge2 O17 109.42(29) 1_555 . 1_555 N
O1 Ge2 O19 111.57(23) 1_555 . 1_555 N
O10 Ge2 O17 108.23(30) 1_555 . 1_555 N
O10 Ge2 O19 110.19(32) 1_555 . 1_555 N
O17 Ge2 O19 107.38(27) 1_555 . 1_555 N
O4 Ge3 O5 112.22(23) 1_555 . 1_555 N
O4 Ge3 O9 109.12(29) 1_555 . 1_555 N
O4 Ge3 O10 110.18(32) 1_555 . 1_555 N
O5 Ge3 O9 106.03(27) 1_555 . 1_555 N
O5 Ge3 O10 109.96(32) 1_555 . 1_555 N
O9 Ge3 O10 109.19(30) 1_555 . 1_555 N
O2 Si4 O6 109.93(33) 1_555 . 1_555 N
O2 Si4 O11 110.69(20) 1_555 . 1_555 N
O2 Si4 O11 110.69(20) 1_555 . -4_555 N
O6 Si4 O11 109.39(20) 1_555 . 1_555 N
O6 Si4 O11 109.39(20) 1_555 . -4_555 N
O11 Si4 O11 106.68(31) 1_555 . -4_555 N
O2 Si5 O18 109.24(20) 1_555 . 1_555 N
O2 Si5 O18 109.24(20) 1_555 . -4_555 N
O2 Si5 O24 109.92(33) 1_555 . 1_555 N
O18 Si5 O18 108.22(32) 1_555 . -4_555 N
O18 Si5 O24 110.09(20) 1_555 . 1_555 N
O18 Si5 O24 110.09(20) -4_555 . 1_555 N
O3 Si6 O8 109.23(33) 1_555 . 1_555 N
O3 Si6 O15 108.23(20) 1_555 . 1_555 N
O3 Si6 O15 108.23(20) 1_555 . 2_655 N
O8 Si6 O15 110.69(19) 1_555 . 1_555 N
O8 Si6 O15 110.69(19) 1_555 . 2_655 N
O15 Si6 O15 109.69(32) 1_555 . 2_655 N
O14 Si7 O15 108.12(30) 1_555 . 1_555 N
O14 Si7 O17 110.67(29) 1_555 . 1_555 N
O14 Si7 O18 108.87(28) 1_555 . 1_555 N
O14 Si7 Ge7 27.73(28) 1_555 . 1_555 N
O15 Si7 O17 106.68(29) 1_555 . 1_555 N
O15 Si7 O18 111.85(29) 1_555 . 1_555 N
O15 Si7 Ge7 80.41(25) 1_555 . 1_555 N
O17 Si7 O18 110.62(29) 1_555 . 1_555 N
O17 Si7 Ge7 119.37(26) 1_555 . 1_555 N
O18 Si7 Ge7 122.21(23) 1_555 . 1_555 N
O9 Si8 O11 107.74(29) 1_555 . -4_555 N
O9 Si8 O12 110.61(29) 1_555 . 1_555 N
O9 Si8 O21 109.36(31) 1_555 . 1_555 N
O11 Si8 O12 107.26(28) -4_555 . 1_555 N
O11 Si8 O21 110.82(30) -4_555 . 1_555 N
O12 Si8 O21 110.98(30) 1_555 . 1_555 N
O7 Si9 O14 109.10(19) 1_555 . 1_555 N
O7 Si9 O14 109.10(19) 1_555 . 3_555 N
O7 Si9 O16 113.17(29) 1_555 . 1_555 N
O14 Si9 O14 110.34(32) 1_555 . 3_555 N
O14 Si9 O16 107.56(19) 1_555 . 1_555 N
O14 Si9 O16 107.56(19) 3_555 . 1_555 N
O7 Si10 O12 109.07(20) 1_555 . 1_555 N
O7 Si10 O12 109.07(20) 1_555 . 3_555 N
O7 Si10 O13 113.38(29) 1_555 . 1_555 N
O12 Si10 O12 110.31(32) 1_555 . 3_555 N
O12 Si10 O13 107.49(19) 1_555 . 1_555 N
O12 Si10 O13 107.49(19) 3_555 . 1_555 N
Ge2 O1 Ge2 145.9(4) 1_555 . -4_556 N
Ge2 O1 Si2 0.0 1_555 . 1_555 N
Ge2 O1 Si2 145.9(4) 1_555 . -4_556 N
Ge2 O1 Si2 145.9(4) -4_556 . 1_555 N
Ge2 O1 Si2 0.0 -4_556 . -4_556 N
Si2 O1 Si2 145.9(4) 1_555 . -4_556 N
Si4 O2 Si5 163.1(5) 1_555 . 1_555 N
Si4 O2 Ge4 0.0 1_555 . 1_555 N
Si4 O2 Ge5 163.1(5) 1_555 . 1_555 N
Si5 O2 Ge4 163.1(5) 1_555 . 1_555 N
Si5 O2 Ge5 0.0 1_555 . 1_555 N
Ge4 O2 Ge5 163.1(5) 1_555 . 1_555 N
Si6 O3 Si6 167.8(7) 1_555 . -3_655 N
Si6 O3 Ge6 0.0 1_555 . 1_555 N
Si6 O3 Ge6 167.8(7) 1_555 . -3_655 N
Si6 O3 Ge6 167.8(7) -3_655 . 1_555 N
Si6 O3 Ge6 0.0 -3_655 . -3_655 N
Ge6 O3 Ge6 167.8(7) 1_555 . -3_655 N
Ge3 O4 Ge3 145.1(4) 1_555 . -4_556 N
Ge3 O4 Si3 0.0 1_555 . 1_555 N
Ge3 O4 Si3 145.1(4) 1_555 . -4_556 N
Ge3 O4 Si3 145.1(4) -4_556 . 1_555 N
Ge3 O4 Si3 0.0 -4_556 . -4_556 N
Si3 O4 Si3 145.1(4) 1_555 . -4_556 N
Ge3 O5 Ge3 144.8(4) 1_555 . 3_565 N
Ge3 O5 Si3 0.0 1_555 . 1_555 N
Ge3 O5 Si3 144.8(4) 1_555 . 3_565 N
Ge3 O5 Si3 144.8(4) 3_565 . 1_555 N
Ge3 O5 Si3 0.0 3_565 . 3_565 N
Si3 O5 Si3 144.8(4) 1_555 . 3_565 N
Si4 O6 Si4 156.9(5) 1_555 . 3_555 N
Si4 O6 Ge4 0.0 1_555 . 1_555 N
Si4 O6 Ge4 156.9(5) 1_555 . 3_555 N
Si4 O6 Ge4 156.9(5) 3_555 . 1_555 N
Si4 O6 Ge4 0.0 3_555 . 3_555 N
Ge4 O6 Ge4 156.9(5) 1_555 . 3_555 N
Si9 O7 Si10 156.09(23) 1_555 . 1_555 N
Si9 O7 Ge10 156.09(23) 1_555 . 1_555 N
Si9 O7 Ge9 0.0 1_555 . 1_555 N
Si10 O7 Ge10 0.0 1_555 . 1_555 N
Si10 O7 Ge9 156.09(23) 1_555 . 1_555 N
Ge10 O7 Ge9 156.09(23) 1_555 . 1_555 N
Si6 O8 Si6 153.77(35) 1_555 . 3_555 N
Si6 O8 Ge6 0.0 1_555 . 1_555 N
Si6 O8 Ge6 153.77(35) 1_555 . 3_555 N
Si6 O8 Ge6 153.77(35) 3_555 . 1_555 N
Si6 O8 Ge6 0.0 3_555 . 3_555 N
Ge6 O8 Ge6 153.77(35) 1_555 . 3_555 N
Ge3 O9 Si8 148.3(5) 1_555 . 1_555 N
Ge3 O9 Si3 0.0 1_555 . 1_555 N
Ge3 O9 Ge8 148.3(5) 1_555 . 1_555 N
Si8 O9 Si3 148.3(5) 1_555 . 1_555 N
Si8 O9 Ge8 0.0 1_555 . 1_555 N
Si3 O9 Ge8 148.3(5) 1_555 . 1_555 N
Ge2 O10 Ge3 147.51(34) 1_555 . 1_555 N
Ge2 O10 Si2 0.0 1_555 . 1_555 N
Ge2 O10 Si3 147.51(34) 1_555 . 1_555 N
Ge3 O10 Si2 147.51(34) 1_555 . 1_555 N
Ge3 O10 Si3 0.0 1_555 . 1_555 N
Si2 O10 Si3 147.51(34) 1_555 . 1_555 N
Si4 O11 Si8 153.16(33) 1_555 . -4_555 N
Si4 O11 Ge4 0.0 1_555 . 1_555 N
Si4 O11 Ge8 153.16(33) 1_555 . -4_555 N
Si8 O11 Ge4 153.16(33) -4_555 . 1_555 N
Si8 O11 Ge8 0.0 -4_555 . -4_555 N
Ge4 O11 Ge8 153.16(33) 1_555 . -4_555 N
Si8 O12 Si10 170.4(4) 1_555 . 1_555 N
Si8 O12 Ge8 0.0 1_555 . 1_555 N
Si8 O12 Ge10 170.4(4) 1_555 . 1_555 N
Si10 O12 Ge8 170.4(4) 1_555 . 1_555 N
Si10 O12 Ge10 0.0 1_555 . 1_555 N
Ge8 O12 Ge10 170.4(4) 1_555 . 1_555 N
Si10 O13 Si10 156.6(5) 1_555 . -2_556 N
Si10 O13 Ge10 0.0 1_555 . 1_555 N
Si10 O13 Ge10 156.6(5) 1_555 . -2_556 N
Si10 O13 Ge10 156.6(5) -2_556 . 1_555 N
Si10 O13 Ge10 0.0 -2_556 . -2_556 N
Ge10 O13 Ge10 156.6(5) 1_555 . -2_556 N
Si7 O14 Si9 159.8(4) 1_555 . 1_555 N
Si7 O14 Ge7 0.148 1_555 . 1_555 N
Si7 O14 Ge9 159.8(4) 1_555 . 1_555 N
Si9 O14 Ge7 159.8(4) 1_555 . 1_555 N
Si9 O14 Ge9 0.0 1_555 . 1_555 N
Ge7 O14 Ge9 159.8(4) 1_555 . 1_555 N
Si6 O15 Si7 156.52(33) 1_555 . 1_555 N
Si6 O15 Ge6 0.0 1_555 . 1_555 N
Si6 O15 Ge7 156.35(33) 1_555 . 1_555 N
Si7 O15 Ge6 156.52(33) 1_555 . 1_555 N
Si7 O15 Ge7 0.3109 1_555 . 1_555 N
Ge6 O15 Ge7 156.35(33) 1_555 . 1_555 N
Si9 O16 Si9 158.1(5) 1_555 . -2_556 N
Si9 O16 Ge9 0.0 1_555 . 1_555 N
Si9 O16 Ge9 158.1(5) 1_555 . -2_556 N
Si9 O16 Ge9 158.1(5) -2_556 . 1_555 N
Si9 O16 Ge9 0.0 -2_556 . -2_556 N
Ge9 O16 Ge9 158.1(5) 1_555 . -2_556 N
Ge2 O17 Si7 146.1(4) 1_555 . 1_555 N
Ge2 O17 Si2 0.0 1_555 . 1_555 N
Ge2 O17 Ge7 146.0(4) 1_555 . 1_555 N
Si7 O17 Si2 146.1(4) 1_555 . 1_555 N
Si7 O17 Ge7 0.2734 1_555 . 1_555 N
Si2 O17 Ge7 146.0(4) 1_555 . 1_555 N
Si5 O18 Si7 157.1(4) 1_555 . 1_555 N
Si5 O18 Ge5 0.0 1_555 . 1_555 N
Si5 O18 Ge7 156.9(4) 1_555 . 1_555 N
Si7 O18 Ge5 157.1(4) 1_555 . 1_555 N
Si7 O18 Ge7 0.2594 1_555 . 1_555 N
Ge5 O18 Ge7 156.9(4) 1_555 . 1_555 N
Ge2 O19 Ge2 144.5(4) 1_555 . 3_565 N
Ge2 O19 Si2 0.0 1_555 . 1_555 N
Ge2 O19 Si2 144.5(4) 1_555 . 3_565 N
Ge2 O19 Si2 144.5(4) 3_565 . 1_555 N
Ge2 O19 Si2 0.0 3_565 . 3_565 N
Si2 O19 Si2 144.5(4) 1_555 . 3_565 N
Ge1 O20 Ge1 140.5(4) 1_555 . 2_555 N
Ge1 O20 Si1 0.0 1_555 . 1_555 N
Ge1 O20 Si1 140.5(4) 1_555 . 2_555 N
Ge1 O20 Si1 140.5(4) 2_555 . 1_555 N
Ge1 O20 Si1 0.0 2_555 . 2_555 N
Si1 O20 Si1 140.5(4) 1_555 . 2_555 N
Ge1 O21 Si8 139.8(5) 1_555 . 1_555 N
Ge1 O21 Si1 0.0 1_555 . 1_555 N
Ge1 O21 Ge8 139.8(5) 1_555 . 1_555 N
Si8 O21 Si1 139.8(5) 1_555 . 1_555 N
Si8 O21 Ge8 0.0 1_555 . 1_555 N
Si1 O21 Ge8 139.8(5) 1_555 . 1_555 N
Ge1 O22 Ge1 160.3(9) 1_555 . 3_555 N
Ge1 O22 Si1 0.0 1_555 . 1_555 N
Ge1 O22 Si1 160.3(9) 1_555 . 3_555 N
Ge1 O22 Si1 160.3(9) 3_555 . 1_555 N
Ge1 O22 Si1 0.0 3_555 . 3_555 N
Si1 O22 Si1 160.3(9) 1_555 . 3_555 N
Ge1 O23 Ge1 139.0(11) 1_555 . -4_556 N
Ge1 O23 Si1 0.0 1_555 . 1_555 N
Ge1 O23 Si1 139.0(11) 1_555 . -4_556 N
Ge1 O23 Si1 139.0(11) -4_556 . 1_555 N
Ge1 O23 Si1 0.0 -4_556 . -4_556 N
Si1 O23 Si1 139.0(11) 1_555 . -4_556 N
Si5 O24 Si5 157.1(5) 1_555 . 3_555 N
Si5 O24 Ge5 0.0 1_555 . 1_555 N
Si5 O24 Ge5 157.1(5) 1_555 . 3_555 N
Si5 O24 Ge5 157.1(5) 3_555 . 1_555 N
Si5 O24 Ge5 0.0 3_555 . 3_555 N
Ge5 O24 Ge5 157.1(5) 1_555 . 3_555 N
O20 Si1 O21 106.84(28) 1_555 . 1_555 N
O20 Si1 O22 109.83(33) 1_555 . 1_555 N
O20 Si1 O23 110.17(33) 1_555 . 1_555 N
O21 Si1 O22 109.35(32) 1_555 . 1_555 N
O21 Si1 O23 110.74(31) 1_555 . 1_555 N
O22 Si1 O23 109.86(33) 1_555 . 1_555 N
O1 Si2 O10 109.97(32) 1_555 . 1_555 N
O1 Si2 O17 109.42(29) 1_555 . 1_555 N
O1 Si2 O19 111.57(23) 1_555 . 1_555 N
O10 Si2 O17 108.23(30) 1_555 . 1_555 N
O10 Si2 O19 110.19(32) 1_555 . 1_555 N
O17 Si2 O19 107.38(27) 1_555 . 1_555 N
O4 Si3 O5 112.22(23) 1_555 . 1_555 N
O4 Si3 O9 109.12(29) 1_555 . 1_555 N
O4 Si3 O10 110.18(32) 1_555 . 1_555 N
O5 Si3 O9 106.03(27) 1_555 . 1_555 N
O5 Si3 O10 109.96(32) 1_555 . 1_555 N
O9 Si3 O10 109.19(30) 1_555 . 1_555 N
O2 Ge4 O6 109.93(33) 1_555 . 1_555 N
O2 Ge4 O11 110.69(20) 1_555 . 1_555 N
O2 Ge4 O11 110.69(20) 1_555 . -4_555 N
O6 Ge4 O11 109.39(20) 1_555 . 1_555 N
O6 Ge4 O11 109.39(20) 1_555 . -4_555 N
O11 Ge4 O11 106.68(31) 1_555 . -4_555 N
O3 Ge6 O8 109.23(33) 1_555 . 1_555 N
O3 Ge6 O15 108.23(20) 1_555 . 1_555 N
O3 Ge6 O15 108.23(20) 1_555 . 2_655 N
O8 Ge6 O15 110.69(19) 1_555 . 1_555 N
O8 Ge6 O15 110.69(19) 1_555 . 2_655 N
O15 Ge6 O15 109.69(32) 1_555 . 2_655 N
O9 Ge8 O11 107.74(29) 1_555 . -4_555 N
O9 Ge8 O12 110.61(29) 1_555 . 1_555 N
O9 Ge8 O21 109.36(31) 1_555 . 1_555 N
O11 Ge8 O12 107.26(28) -4_555 . 1_555 N
O11 Ge8 O21 110.82(30) -4_555 . 1_555 N
O12 Ge8 O21 110.98(30) 1_555 . 1_555 N
O7 Ge10 O12 109.07(20) 1_555 . 1_555 N
O7 Ge10 O12 109.07(20) 1_555 . 3_555 N
O7 Ge10 O13 113.38(29) 1_555 . 1_555 N
O12 Ge10 O12 110.31(32) 1_555 . 3_555 N
O12 Ge10 O13 107.49(19) 1_555 . 1_555 N
O12 Ge10 O13 107.49(19) 3_555 . 1_555 N
O2 Ge5 O18 109.24(20) 1_555 . 1_555 N
O2 Ge5 O18 109.24(20) 1_555 . -4_555 N
O2 Ge5 O24 109.92(33) 1_555 . 1_555 N
O18 Ge5 O18 108.22(32) 1_555 . -4_555 N
O18 Ge5 O24 110.09(20) 1_555 . 1_555 N
O18 Ge5 O24 110.09(20) -4_555 . 1_555 N
Si7 Ge7 O14 152.12(29) 1_555 . 1_555 N
Si7 Ge7 O15 99.28(25) 1_555 . 1_555 N
Si7 Ge7 O17 60.35(26) 1_555 . 1_555 N
Si7 Ge7 O18 57.54(23) 1_555 . 1_555 N
O14 Ge7 O15 108.57(30) 1_555 . 1_555 N
O14 Ge7 O17 110.85(29) 1_555 . 1_555 N
O14 Ge7 O18 109.02(29) 1_555 . 1_555 N
O15 Ge7 O17 106.54(29) 1_555 . 1_555 N
O15 Ge7 O18 111.67(29) 1_555 . 1_555 N
O17 Ge7 O18 110.16(29) 1_555 . 1_555 N
O7 Ge9 O14 109.10(19) 1_555 . 1_555 N
O7 Ge9 O14 109.10(19) 1_555 . 3_555 N
O7 Ge9 O16 113.17(29) 1_555 . 1_555 N
O14 Ge9 O14 110.34(32) 1_555 . 3_555 N
O14 Ge9 O16 107.56(19) 1_555 . 1_555 N
O14 Ge9 O16 107.56(19) 3_555 . 1_555 N
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 Ge1 3.010(10) . 2_555 N
Ge1 Ge1 3.067(12) . -4_556 N
Ge1 Si8 3.010(6) . 1_555 N
Ge1 O20 1.599(5) . 1_555 N
Ge1 O21 1.589(5) . 1_555 N
Ge1 O22 1.626(4) . 1_555 N
Ge1 O23 1.637(5) . 1_555 N
Ge1 Si1 3.010(10) . 2_555 N
Ge1 Si1 3.067(12) . -4_556 N
Ge1 Ge8 3.010(6) . 1_555 N
Ge2 Si7 3.045(5) . 1_555 N
Ge2 O1 1.680(4) . 1_555 N
Ge2 O10 1.653(5) . 1_555 N
Ge2 O17 1.619(5) . 1_555 N
Ge2 O19 1.650(4) . 1_555 N
Ge2 Ge7 3.049(5) . 1_555 N
Ge3 Ge3 3.122(7) . 3_565 N
Ge3 Si8 3.072(5) . 1_555 N
Ge3 O4 1.675(4) . 1_555 N
Ge3 O5 1.638(4) . 1_555 N
Ge3 O9 1.613(5) . 1_555 N
Ge3 O10 1.649(5) . 1_555 N
Ge3 Ge8 3.072(5) . 1_555 N
Si4 O2 1.655(5) . 1_555 N
Si4 O6 1.632(5) . 1_555 N
Si4 O11 1.6195(34) . 1_555 N
Si4 O11 1.6195(34) . -4_555 N
Si5 O2 1.628(5) . 1_555 N
Si5 O18 1.6103(34) . 1_555 N
Si5 O18 1.6103(34) . -4_555 N
Si5 O24 1.632(5) . 1_555 N
Si6 O3 1.591(4) . 1_555 N
Si6 O8 1.631(5) . 1_555 N
Si6 O15 1.6190(34) . 1_555 N
Si6 O15 1.6190(34) . 2_655 N
Si7 Ge2 3.045(5) . 1_555 N
Si7 O14 1.561(4) . 1_555 N
Si7 O15 1.563(4) . 1_555 N
Si7 O17 1.564(4) . 1_555 N
Si7 O18 1.600(4) . 1_555 N
Si7 Ge7 0.0086 . 1_555 N
Si8 Ge1 3.010(6) . 1_555 N
Si8 Ge3 3.072(5) . 1_555 N
Si8 O9 1.581(5) . 1_555 N
Si8 O11 1.573(4) . -4_555 N
Si8 O12 1.586(4) . 1_555 N
Si8 O21 1.616(5) . 1_555 N
Si8 Si1 3.010(6) . 1_555 N
Si9 O7 1.633(5) . 1_555 N
Si9 O14 1.5934(34) . 1_555 N
Si9 O14 1.5934(34) . 3_555 N
Si9 O16 1.618(4) . 1_555 N
Si10 O7 1.663(5) . 1_555 N
Si10 O12 1.6201(34) . 1_555 N
Si10 O12 1.6201(34) . 3_555 N
Si10 O13 1.631(4) . 1_555 N
O1 Ge2 1.680(4) . 1_555 N
O1 Ge2 1.680(4) . -4_556 N
O1 Si2 1.680(4) . 1_555 N
O1 Si2 1.680(4) . -4_556 N
O2 Si4 1.655(5) . 1_555 N
O2 Si5 1.628(5) . 1_555 N
O2 Ge4 1.655(5) . 1_555 N
O2 Ge5 1.628(5) . 1_555 N
O3 Si6 1.591(4) . 1_555 N
O3 Si6 1.591(4) . -3_655 N
O3 Ge6 1.591(4) . 1_555 N
O3 Ge6 1.591(4) . -3_655 N
O4 Ge3 1.675(4) . 1_555 N
O4 Ge3 1.675(4) . -4_556 N
O4 Si3 1.675(4) . 1_555 N
O4 Si3 1.675(4) . -4_556 N
O5 Ge3 1.638(4) . 1_555 N
O5 Ge3 1.638(4) . 3_565 N
O5 Si3 1.638(4) . 1_555 N
O5 Si3 1.638(4) . 3_565 N
O6 Si4 1.632(5) . 1_555 N
O6 Si4 1.632(5) . 3_555 N
O6 Ge4 1.632(5) . 1_555 N
O6 Ge4 1.632(5) . 3_555 N
O7 Si9 1.633(5) . 1_555 N
O7 Si10 1.663(5) . 1_555 N
O7 Ge10 1.663(5) . 1_555 N
O7 Ge9 1.633(5) . 1_555 N
O8 Si6 1.631(5) . 1_555 N
O8 Si6 1.631(5) . 3_555 N
O8 Ge6 1.631(5) . 1_555 N
O8 Ge6 1.631(5) . 3_555 N
O9 Ge3 1.613(5) . 1_555 N
O9 Si8 1.581(5) . 1_555 N
O9 Si3 1.613(5) . 1_555 N
O9 Ge8 1.581(5) . 1_555 N
O10 Ge2 1.653(5) . 1_555 N
O10 Ge3 1.649(5) . 1_555 N
O10 Si2 1.653(5) . 1_555 N
O10 Si3 1.649(5) . 1_555 N
O11 Si4 1.6195(34) . 1_555 N
O11 Si8 1.573(4) . -4_555 N
O11 Ge4 1.6195(34) . 1_555 N
O11 Ge8 1.573(4) . -4_555 N
O12 Si8 1.586(4) . 1_555 N
O12 Si10 1.6201(34) . 1_555 N
O12 Ge8 1.586(4) . 1_555 N
O12 Ge10 1.6201(34) . 1_555 N
O13 Si10 1.631(4) . 1_555 N
O13 Si10 1.631(4) . -2_556 N
O13 Ge10 1.631(4) . 1_555 N
O13 Ge10 1.631(4) . -2_556 N
O14 Si7 1.561(4) . 1_555 N
O14 Si9 1.5934(34) . 1_555 N
O14 Ge7 1.554(4) . 1_555 N
O14 Ge9 1.5934(34) . 1_555 N
O15 Si6 1.6190(34) . 1_555 N
O15 Si7 1.563(4) . 1_555 N
O15 Ge6 1.6190(34) . 1_555 N
O15 Ge7 1.561(4) . 1_555 N
O16 Si9 1.618(4) . 1_555 N
O16 Si9 1.618(4) . -2_556 N
O16 Ge9 1.618(4) . 1_555 N
O16 Ge9 1.618(4) . -2_556 N
O17 Ge2 1.619(5) . 1_555 N
O17 Si7 1.564(4) . 1_555 N
O17 Si2 1.619(5) . 1_555 N
O17 Ge7 1.569(4) . 1_555 N
O18 Si5 1.6103(34) . 1_555 N
O18 Si7 1.600(4) . 1_555 N
O18 Ge5 1.6103(34) . 1_555 N
O18 Ge7 1.605(4) . 1_555 N
O19 Ge2 1.650(4) . 1_555 N
O19 Ge2 1.650(4) . 3_565 N
O19 Si2 1.650(4) . 1_555 N
O19 Si2 1.650(4) . 3_565 N
O20 Ge1 1.599(5) . 1_555 N
O20 Ge1 1.599(5) . 2_555 N
O20 Si1 1.599(5) . 1_555 N
O20 Si1 1.599(5) . 2_555 N
O21 Ge1 1.589(5) . 1_555 N
O21 Si8 1.616(5) . 1_555 N
O21 Si1 1.589(5) . 1_555 N
O21 Ge8 1.616(5) . 1_555 N
O22 Ge1 1.626(4) . 1_555 N
O22 Ge1 1.626(4) . 3_555 N
O22 Si1 1.626(4) . 1_555 N
O22 Si1 1.626(4) . 3_555 N
O23 Ge1 1.637(5) . 1_555 N
O23 Ge1 1.637(5) . -4_556 N
O23 Si1 1.637(5) . 1_555 N
O23 Si1 1.637(5) . -4_556 N
O24 Si5 1.632(5) . 1_555 N
O24 Si5 1.632(5) . 3_555 N
O24 Ge5 1.632(5) . 1_555 N
O24 Ge5 1.632(5) . 3_555 N
Ow2 Ow2 1.72(10) . 2_555 N
Si1 Ge1 3.010(10) . 2_555 N
Si1 Ge1 3.067(12) . -4_556 N
Si1 Si8 3.010(6) . 1_555 N
Si1 O20 1.599(5) . 1_555 N
Si1 O21 1.589(5) . 1_555 N
Si1 O22 1.626(4) . 1_555 N
Si1 O23 1.637(5) . 1_555 N
Si1 Si1 3.010(10) . 2_555 N
Si1 Ge8 3.010(6) . 1_555 N
Si2 O1 1.680(4) . 1_555 N
Si2 O10 1.653(5) . 1_555 N
Si2 O17 1.619(5) . 1_555 N
Si2 O19 1.650(4) . 1_555 N
Si2 Ge7 3.049(5) . 1_555 N
Si3 O4 1.675(4) . 1_555 N
Si3 O5 1.638(4) . 1_555 N
Si3 O9 1.613(5) . 1_555 N
Si3 O10 1.649(5) . 1_555 N
Si3 Ge8 3.072(5) . 1_555 N
Ge4 O2 1.655(5) . 1_555 N
Ge4 O6 1.632(5) . 1_555 N
Ge4 O11 1.6195(34) . 1_555 N
Ge4 O11 1.6195(34) . -4_555 N
Ge4 Ge8 3.105(4) . 1_555 N
Ge4 Ge8 3.105(4) . -4_555 N
Ge6 O3 1.591(4) . 1_555 N
Ge6 O8 1.631(5) . 1_555 N
Ge6 O15 1.6190(34) . 1_555 N
Ge6 O15 1.6190(34) . 2_655 N
Ge6 Ge7 3.113(5) . 1_555 N
Ge6 Ge7 3.113(5) . 2_655 N
Ge8 Ge1 3.010(6) . 1_555 N
Ge8 Ge3 3.072(5) . 1_555 N
Ge8 O9 1.581(5) . 1_555 N
Ge8 O11 1.573(4) . -4_555 N
Ge8 O12 1.586(4) . 1_555 N
Ge8 O21 1.616(5) . 1_555 N
Ge8 Si1 3.010(6) . 1_555 N
Ge8 Si3 3.072(5) . 1_555 N
Ge8 Ge4 3.105(4) . 1_555 N
Ge10 O7 1.663(5) . 1_555 N
Ge10 O12 1.6201(34) . 1_555 N
Ge10 O12 1.6201(34) . 3_555 N
Ge10 O13 1.631(4) . 1_555 N
Ge5 O2 1.628(5) . 1_555 N
Ge5 O18 1.6103(34) . 1_555 N
Ge5 O18 1.6103(34) . -4_555 N
Ge5 O24 1.632(5) . 1_555 N
Ge7 Ge2 3.049(5) . 1_555 N
Ge7 Si7 0.0086 . 1_555 N
Ge7 O14 1.554(4) . 1_555 N
Ge7 O15 1.561(4) . 1_555 N
Ge7 O17 1.569(4) . 1_555 N
Ge7 O18 1.605(4) . 1_555 N
Ge7 Si2 3.049(5) . 1_555 N
Ge7 Ge6 3.113(5) . 1_555 N
Ge7 Ge9 3.099(5) . 1_555 N
Ge9 O7 1.633(5) . 1_555 N
Ge9 O14 1.5934(34) . 1_555 N
Ge9 O14 1.5934(34) . 3_555 N
Ge9 O16 1.618(4) . 1_555 N
Ge9 Ge7 3.099(5) . 1_555 N
Ge9 Ge7 3.099(5) . 3_555 N
loop_
_pd_meas_counts_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
1.0 0.0 -7576.75635 .
1005.0 0.0 -7470.15332 .
1013.0 0.0 -7364.73682 .
1007.0 0.0 -7260.48682 .
1012.0 0.0 -7157.39893 .
1006.0 0.0 -7055.45068 .
1004.0 0.0 -6954.64404 .
1013.0 0.0 -6854.95996 .
1010.0 0.0 -6756.38672 .
1003.0 0.0 -6658.91211 .
998.0 0.0 -6562.53955 .
1005.0 0.0 -6467.23584 .
1010.0 0.0 -6373.00049 .
1007.0 0.0 -6279.82715 .
1006.0 0.0 -6187.70068 .
1010.0 0.0 -6096.60938 .
1008.0 0.0 -6006.54639 .
1016.0 0.0 -5917.50049 .
1008.0 0.0 -5829.45703 .
1007.0 0.0 -5742.41162 .
1017.0 0.0 -5656.34766 .
1008.0 0.0 -5571.26611 .
1000.0 0.0 -5487.14502 .
1009.0 0.0 -5403.98193 .
1007.0 0.0 -5321.76221 .
1011.0 0.0 -5240.48633 .
1013.0 0.0 -5160.12842 .
1015.0 0.0 -5080.69141 .
1012.0 0.0 -5002.16260 .
1003.0 0.0 -4924.53467 .
1016.0 0.0 -4847.79297 .
1012.0 0.0 -4771.93213 .
1008.0 0.0 -4696.94531 .
1004.0 0.0 -4622.82129 .
1013.0 0.0 -4549.54688 .
1009.0 0.0 -4477.12354 .
1010.0 0.0 -4405.53174 .
1013.0 0.0 -4334.77197 .
1011.0 0.0 -4264.82666 .
1011.0 0.0 -4195.69385 .
1003.0 0.0 -4127.36328 .
1010.0 0.0 -4059.82446 .
1007.0 0.0 -3993.07422 .
1002.0 0.0 -3927.10059 .
1007.0 0.0 -3861.89429 .
1006.0 0.0 -3797.45190 .
1007.0 0.0 -3733.76465 .
1001.0 0.0 -3670.82129 .
1005.0 0.0 -3608.61475 .
1004.0 0.0 -3547.13843 .
1004.0 0.0 -3486.38647 .
1008.0 0.0 -3426.34888 .
994.0 0.0 -3367.01880 .
1004.0 0.0 -3308.38672 .
1000.0 0.0 -3250.45020 .
1008.0 0.0 -3193.19702 .
1004.0 0.0 -3136.62378 .
1008.0 0.0 -3080.72266 .
1001.0 0.0 -3025.48291 .
1006.0 0.0 -2970.89966 .
997.0 0.0 -2916.96997 .
1005.0 0.0 -2863.67871 .
1008.0 0.0 -2811.02686 .
1002.0 0.0 -2759.00317 .
1007.0 0.0 -2707.60327 .
1004.0 0.0 -2656.82080 .
1001.0 0.0 -2606.64551 .
996.0 0.0 -2557.07471 .
1003.0 0.0 -2508.09937 .
1004.0 0.0 -2459.71484 .
1005.0 0.0 -2411.91602 .
1005.0 0.0 -2364.69434 .
1000.0 0.0 -2318.04370 .
1008.0 0.0 -2271.95874 .
1004.0 0.0 -2226.43115 .
1005.0 0.0 -2181.46045 .
1008.0 0.0 -2137.03345 .
1003.0 0.0 -2093.14990 .
1014.0 0.0 -2049.80005 .
1004.0 0.0 -2006.98303 .
1005.0 0.0 -1964.68823 .
1018.0 0.0 -1922.91223 .
1011.0 0.0 -1881.64783 .
1007.0 0.0 -1840.89246 .
1016.0 0.0 -1800.63635 .
1023.0 0.0 -1760.87695 .
1007.0 0.0 -1721.61047 .
1016.0 0.0 -1682.82788 .
1006.0 0.0 -1644.52649 .
1007.0 0.0 -1606.69788 .
1008.0 0.0 -1569.34058 .
1018.0 0.0 -1532.44604 .
1013.0 0.0 -1496.01282 .
1018.0 0.0 -1460.03320 .
1000.0 0.0 -1424.50293 .
1007.0 0.0 -1389.41541 .
1004.0 0.0 -1354.77014 .
1010.0 0.0 -1320.55688 .
1008.0 0.0 -1286.77649 .
1015.0 0.0 -1253.41687 .
1010.0 0.0 -1220.47986 .
1031.0 0.0 -1187.95691 .
1011.0 0.0 -1155.84863 .
996.0 0.0 -1124.14258 .
1003.0 0.0 -1092.84009 .
1004.0 0.0 -1061.93506 .
1009.0 0.0 -1031.42200 .
1019.0 0.0 -1001.29846 .
1007.0 0.0 -971.55945 .
1006.0 0.0 -942.19952 .
1010.0 0.0 -913.21442 .
1018.0 0.0 -884.60132 .
1011.0 0.0 -856.35535 .
1026.0 0.0 -828.47308 .
1003.0 0.0 -800.94800 .
1012.0 0.0 -773.77911 .
1014.0 0.0 -746.96130 .
1007.0 0.0 -720.48907 .
1034.0 0.0 -694.35992 .
1010.0 0.0 -668.57019 .
1024.0 0.0 -643.11487 .
1022.0 0.0 -617.99176 .
1013.0 0.0 -593.19617 .
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1705.0 0.000587 976.82129 1720.05408
1589.0 0.000629 976.76257 1548.37817
1501.0 0.000666 976.70428 1418.33154
1425.0 0.000702 976.64612 1324.73938
1388.0 0.000720 976.58832 1260.03040
1327.0 0.000754 976.53064 1216.46411
1284.0 0.000779 976.47369 1187.69238
1272.0 0.000786 976.41663 1168.79993
1267.0 0.000789 976.36011 1156.51111
1228.0 0.000814 976.30377 1148.77136
1197.0 0.000835 976.24780 1144.33289
1242.0 0.000805 976.19202 1142.40100
1211.0 0.000826 976.13684 1142.44995
1215.0 0.000823 976.08167 1144.09229
1242.0 0.000805 976.02686 1147.04785
1220.0 0.000820 975.97235 1151.14368
1203.0 0.000831 975.91821 1156.38550
1216.0 0.000822 975.86438 1163.02759
1174.0 0.000852 975.81091 1171.66724
1243.0 0.000805 975.75781 1183.26465
1244.0 0.000804 975.70490 1199.02979
1233.0 0.000811 975.65210 1220.28406
1257.0 0.000796 975.59979 1248.08618
1333.0 0.000750 975.54797 1282.90869
1416.0 0.000706 975.49597 1324.00000
1481.0 0.000675 975.44489 1368.30444
1496.0 0.000668 975.39380 1409.41321
1491.0 0.000671 975.34308 1437.26538
1467.0 0.000682 975.29254 1441.83704
1412.0 0.000708 975.24243 1421.99902
1374.0 0.000728 975.19269 1378.93030
1283.0 0.000779 975.14337 1325.61401
1268.0 0.000789 975.09412 1276.51721
1215.0 0.000823 975.04523 1227.08594
1211.0 0.000826 974.99670 1184.62500
1151.0 0.000869 974.94849 1149.75195
1087.0 0.000920 974.90076 1121.98633
1117.0 0.000895 974.85309 1100.42712
1144.0 0.000874 974.80579 1084.16174
1049.0 0.000953 974.75909 1071.84338
1088.0 0.000919 974.71259 1062.31958
1059.0 0.000944 974.66632 1055.00525
1082.0 0.000924 974.62024 1049.32410
1064.0 0.000940 974.57458 1044.85657
1043.0 0.000959 974.52936 1041.31799
1051.0 0.000951 974.48438 1038.52307
1026.0 0.000975 974.43988 1036.34546
1042.0 0.000960 974.39539 1034.70740
1034.0 0.000967 974.35162 1033.55859
1026.0 0.000975 974.30786 1032.87036
1043.0 0.000959 974.26453 1032.63477
987.0 0.001013 974.22168 1032.85767
1037.0 0.000964 974.17871 1033.56274
1034.0 0.000967 974.13647 1034.79358
1027.0 0.000974 974.09448 1036.61633
1005.0 0.000995 974.05292 1039.12402
1031.0 0.000970 974.01147 1042.45398
1027.0 0.000974 973.97070 1046.79480
1000.0 0.001000 973.92993 1052.44189
1020.0 0.000980 973.88940 1059.91187
1034.0 0.000967 973.84937 1070.24951
1068.0 0.000936 973.80969 1085.88232
1078.0 0.000928 973.77032 1112.27563
1114.0 0.000898 973.73132 1160.77368
1162.0 0.000861 973.69275 1251.22888
1316.0 0.000760 973.65436 1411.46143
1548.0 0.000646 973.61639 1669.43054
1995.0 0.000501 973.57855 2034.79907
2710.0 0.000369 973.54138 2477.98730
3256.0 0.0003071 973.50427 2912.30786
3383.0 0.0002956 973.46747 3192.35303
3052.0 0.0003277 973.43127 3181.80737
2653.0 0.000377 973.39532 2886.73608
2346.0 0.000426 973.35962 2448.58203
1950.0 0.000513 973.32428 2008.91248
1735.0 0.000576 973.28925 1651.02307
1536.0 0.000651 973.25470 1400.89038
1404.0 0.000712 973.22040 1246.94922
1319.0 0.000758 973.18628 1160.81799
1272.0 0.000786 973.15277 1114.98926
1193.0 0.000838 973.11951 1090.29004
1115.0 0.000897 973.08643 1075.87085
1119.0 0.000894 973.05383 1066.55664
1084.0 0.000923 973.02155 1060.06689
1080.0 0.000926 972.98962 1055.41003
1055.0 0.000948 972.95813 1052.11340
1064.0 0.000940 972.92688 1049.90222
1037.0 0.000964 972.89587 1048.61060
1028.0 0.000973 972.86523 1048.13135
1001.0 0.000999 972.83502 1048.41138
1022.0 0.000978 972.80518 1049.44495
1002.0 0.000998 972.77570 1051.28723
1004.0 0.000996 972.74640 1054.06250
1017.0 0.000983 972.71741 1057.99023
1035.0 0.000966 972.68890 1063.39453
1017.0 0.000983 972.66077 1070.67529
999.0 0.001001 972.63281 1080.28149
1014.0 0.000986 972.60547 1092.56738
1047.0 0.000955 972.57831 1107.68005
1057.0 0.000946 972.55164 1125.34119
1063.0 0.000941 972.52490 1144.50232
1078.0 0.000928 972.49884 1165.43799
1143.0 0.000875 972.47302 1180.36926
1158.0 0.000864 972.44769 1189.33105
1180.0 0.000847 972.42249 1192.84167
1224.0 0.000817 972.39771 1193.70251
1219.0 0.000820 972.37317 1194.72424
1216.0 0.000822 972.34912 1197.63635
1195.0 0.000837 972.32538 1203.31519
1211.0 0.000826 972.30212 1212.25928
1264.0 0.000791 972.27899 1224.86975
1256.0 0.000796 972.25641 1241.63379
1222.0 0.000818 972.23389 1263.09436
1295.0 0.000772 972.21191 1289.90967
1253.0 0.000798 972.19012 1322.81421
1324.0 0.000755 972.16888 1362.50330
1371.0 0.000729 972.14789 1409.71106
1423.0 0.000703 972.12720 1464.88538
1540.0 0.000649 972.10681 1528.11877
1642.0 0.000609 972.08698 1598.59338
1763.0 0.000567 972.06732 1673.60034
1805.0 0.000554 972.04810 1747.74854
1870.0 0.000535 972.02917 1811.91602
1905.0 0.000525 972.01056 1854.73132
1862.0 0.000537 971.99225 1866.53271
1882.0 0.000531 971.97430 1844.73022
1751.0 0.000571 971.95673 1795.66016
1655.0 0.000604 971.93970 1731.07507
1643.0 0.000609 971.92261 1662.48523
1546.0 0.000647 971.90607 1597.87769
1502.0 0.000666 971.88995 1541.54370
1477.0 0.000677 971.87408 1494.10889
1478.0 0.000677 971.85846 1454.05774
1415.0 0.000707 971.84326 1418.73291
1375.0 0.000727 971.82855 1386.05737
1359.0 0.000736 971.81403 1355.61560
1308.0 0.000765 971.79974 1328.11304
1330.0 0.000752 971.78607 1304.38916
1276.0 0.000784 971.77252 1284.63269
1265.0 0.000791 971.75952 1268.43372
1296.0 0.000772 971.74658 1255.04529
1251.0 0.000799 971.73419 1243.55225
1303.0 0.000767 971.72217 1233.10400
1234.0 0.000810 971.71014 1222.97803
1184.0 0.000845 971.69891 1215.36011
1212.0 0.000825 971.68768 1205.10535
1254.0 0.000797 971.67694 1193.97815
1204.0 0.000831 971.66663 1182.54956
1172.0 0.000853 971.65637 1171.04468
1147.0 0.000872 971.64673 1159.71985
1185.0 0.000844 971.63751 1148.83020
1126.0 0.000888 971.62848 1138.55798
1133.0 0.000883 971.61957 1129.05847
1111.0 0.000900 971.61127 1120.41541
1096.0 0.000912 971.60309 1112.67114
1098.0 0.000911 971.59534 1105.84875
1113.0 0.000898 971.58795 1099.92944
1081.0 0.000925 971.58087 1094.89124
1075.0 0.000930 971.57422 1090.68872
1070.0 0.000935 971.56787 1087.26440
1049.0 0.000953 971.56171 1084.55396
1063.0 0.000941 971.55609 1082.98474
1054.0 0.000949 971.55072 1081.43530
1029.0 0.000972 971.54565 1080.28052
1039.0 0.000962 971.54102 1079.37805
1064.0 0.000940 971.53638 1078.58374
1012.0 0.000988 971.53253 1077.76904
1057.0 0.000946 971.52881 1076.84790
1017.0 0.000983 971.52533 1075.79150
1037.0 0.000964 971.52222 1074.63647
1009.0 0.000991 971.51953 1073.47681
1013.0 0.000987 971.51715 1072.43762
1018.0 0.000982 971.51508 1071.66125
1035.0 0.000966 971.51349 1071.28467
1008.0 0.000992 971.51202 1071.43555
1013.0 0.000987 971.51093 1072.23438
1016.0 0.000984 971.51019 1073.80237
1005.0 0.000995 971.50970 1076.27344
1048.0 0.000954 971.50964 1079.81750
1023.0 0.000978 971.50977 1084.66370
1004.0 0.000996 971.51044 1091.12170
1015.0 0.000985 971.51129 1099.63953
1056.0 0.000947 971.51251 1110.81213
1071.0 0.000934 971.51416 1125.45447
1081.0 0.000925 971.51599 1144.61877
1098.0 0.000911 971.51801 1169.55017
1161.0 0.000861 971.52051 1201.73584
1193.0 0.000838 971.52338 1243.17041
1269.0 0.000788 971.52655 1294.36926
1325.0 0.000755 971.52985 1357.00281
1396.0 0.000716 971.53387 1431.42322
1476.0 0.000678 971.53796 1516.79248
1637.0 0.000611 971.54224 1609.68689
1764.0 0.000567 971.54706 1702.47400
1880.0 0.000532 971.55231 1784.26538
1877.0 0.000533 971.55743 1838.78723
1848.0 0.000541 971.56317 1852.52148
1788.0 0.000559 971.56921 1821.55200
1773.0 0.000564 971.57556 1754.27380
1650.0 0.000606 971.58215 1665.92297
1493.0 0.000670 971.58917 1571.26343
1421.0 0.000704 971.59637 1480.28223
1430.0 0.000699 971.60400 1398.56091
1347.0 0.000742 971.61194 1328.27612
1335.0 0.000749 971.62000 1269.70642
1276.0 0.000784 971.62848 1222.17407
1257.0 0.000796 971.63751 1184.32764
1193.0 0.000838 971.64667 1154.70386
1169.0 0.000855 971.65601 1131.76904
1152.0 0.000868 971.66577 1114.14709
1176.0 0.000850 971.67590 1100.71667
1135.0 0.000881 971.68634 1090.58679
1132.0 0.000883 971.69702 1083.18469
1091.0 0.000917 971.70795 1078.58813
1102.0 0.000907 971.71936 1076.17041
1107.0 0.000903 971.73083 1076.75928
1113.0 0.000898 971.74261 1081.23596
1113.0 0.000898 971.75507 1090.79126
1114.0 0.000898 971.76746 1106.67224
1181.0 0.000847 971.78021 1129.75415
1226.0 0.000816 971.79333 1159.77576
1248.0 0.000801 971.80688 1194.83484
1251.0 0.000799 971.82074 1230.22864
1289.0 0.000776 971.83459 1257.88879
1304.0 0.000767 971.84869 1268.10974
1234.0 0.000810 971.86353 1256.08484
1192.0 0.000839 971.87842 1226.52466
1163.0 0.000860 971.89368 1189.12573
1133.0 0.000883 971.90900 1151.93298
1093.0 0.000915 971.92487 1119.54883
1072.0 0.000933 971.94092 1093.91882
1025.0 0.000976 971.95740 1075.13098
1028.0 0.000973 971.97418 1062.27747
1051.0 0.000951 971.99091 1053.97180
1050.0 0.000952 972.00830 1048.84851
1038.0 0.000963 972.02582 1045.80334
1011.0 0.000989 972.04358 1044.04663
1009.0 0.000991 972.06165 1043.07837
996.0 0.001004 972.08026 1042.60278
1029.0 0.000972 972.09882 1042.45752
999.0 0.001001 972.11774 1042.56274
987.0 0.001013 972.13696 1042.88684
999.0 0.001001 972.15643 1043.42883
993.0 0.001007 972.17639 1044.20459
1006.0 0.000994 972.19647 1045.23938
990.0 0.001010 972.21680 1046.56384
1002.0 0.000998 972.23755 1048.21191
1010.0 0.000990 972.25854 1050.21753
1014.0 0.000986 972.27972 1052.61963
1003.0 0.000997 972.30109 1055.46252
1015.0 0.000985 972.32300 1059.12341
1002.0 0.000998 972.34491 1063.01257
991.0 0.001009 972.36719 1067.52197
1029.0 0.000972 972.39014 1072.74524
986.0 0.001014 972.41296 1078.79822
1026.0 0.000975 972.43591 1085.81287
1025.0 0.000976 972.45935 1093.97021
993.0 0.001007 972.48303 1103.46899
1052.0 0.000951 972.50708 1114.56592
1031.0 0.000970 972.53137 1127.56750
1064.0 0.000940 972.55579 1142.80566
1060.0 0.000943 972.58038 1160.69678
1043.0 0.000959 972.60541 1181.66138
1103.0 0.000907 972.63080 1206.19409
1097.0 0.000912 972.65619 1234.81140
1110.0 0.000901 972.68213 1267.98804
1125.0 0.000889 972.70819 1306.23425
1202.0 0.000832 972.73456 1349.87744
1272.0 0.000786 972.76093 1399.11938
1421.0 0.000704 972.78790 1453.83142
1487.0 0.000672 972.81506 1513.21021
1644.0 0.000608 972.84235 1575.72070
1770.0 0.000565 972.87006 1638.48047
1838.0 0.000544 972.89771 1697.32141
1934.0 0.000517 972.92603 1746.83679
1920.0 0.000521 972.95441 1781.12341
1921.0 0.000521 972.98297 1795.42407
1955.0 0.000512 973.01172 1787.54529
1872.0 0.000534 973.04077 1758.75610
1811.0 0.000552 973.07031 1713.23486
1778.0 0.000562 973.09998 1656.75830
1711.0 0.000584 973.12982 1594.92810
1629.0 0.000614 973.15991 1532.41321
1539.0 0.000650 973.19012 1472.36230
1491.0 0.000671 973.22083 1416.65259
1477.0 0.000677 973.25165 1366.29797
1407.0 0.000711 973.28271 1321.53601
1348.0 0.000742 973.31390 1282.32117
1295.0 0.000772 973.34552 1248.29626
1256.0 0.000796 973.37744 1218.99841
1221.0 0.000819 973.40942 1193.96741
1212.0 0.000825 973.44177 1172.66992
1170.0 0.000855 973.47406 1154.64819
1138.0 0.000879 973.50690 1139.44348
1119.0 0.000894 973.53979 1126.64673
1117.0 0.000895 973.57306 1115.92419
1087.0 0.000920 973.60645 1106.96423
1086.0 0.000921 973.64008 1099.57813
1051.0 0.000951 973.67401 1093.46387
1081.0 0.000925 973.70807 1088.50842
1027.0 0.000974 973.74225 1084.59937
1027.0 0.000974 973.77679 1081.64575
1039.0 0.000962 973.81171 1079.59424
1025.0 0.000976 973.84650 1078.40955
1030.0 0.000971 973.88184 1078.08032
1021.0 0.000979 973.91736 1078.61218
982.0 0.001018 973.95300 1080.02673
1008.0 0.000992 973.98877 1082.35181
1031.0 0.000970 974.02472 1085.62744
1015.0 0.000985 974.06122 1089.89832
1019.0 0.000981 974.09760 1095.19678
1036.0 0.000965 974.13434 1101.55493
1073.0 0.000932 974.17120 1108.96399
1065.0 0.000939 974.20837 1117.38110
1120.0 0.000893 974.24573 1126.69275
1108.0 0.000903 974.28333 1136.66003
1095.0 0.000913 974.32111 1146.92700
1177.0 0.000850 974.35895 1156.94519
1165.0 0.000858 974.39716 1166.02771
1229.0 0.000814 974.43561 1172.20178
1186.0 0.000843 974.47406 1177.08667
1184.0 0.000845 974.51288 1178.93799
1181.0 0.000847 974.55200 1177.55908
1175.0 0.000851 974.59113 1173.17883
1184.0 0.000845 974.63049 1166.38098
1142.0 0.000876 974.66998 1157.99536
1140.0 0.000877 974.70966 1148.81067
1131.0 0.000884 974.74963 1139.61938
1126.0 0.000888 974.78986 1131.05737
1120.0 0.000893 974.82996 1123.54053
1102.0 0.000907 974.87061 1117.45483
1084.0 0.000923 974.91125 1113.05920
1111.0 0.000900 974.95221 1110.57861
1112.0 0.000899 974.99335 1110.20081
1117.0 0.000895 975.03448 1112.10437
1121.0 0.000892 975.07599 1116.44788
1158.0 0.000864 975.11749 1123.36682
1136.0 0.000880 975.15930 1132.92847
1151.0 0.000869 975.20135 1145.10583
1194.0 0.000838 975.24341 1159.69324
1211.0 0.000826 975.28583 1176.14954
1237.0 0.000808 975.32819 1193.49792
1249.0 0.000801 975.37091 1210.09595
1258.0 0.000795 975.41388 1223.02441
1238.0 0.000808 975.45679 1231.25403
1242.0 0.000805 975.50006 1232.21069
1260.0 0.000794 975.54346 1225.42249
1185.0 0.000844 975.58691 1211.99219
1147.0 0.000872 975.63080 1194.01526
1144.0 0.000874 975.67450 1173.75464
1135.0 0.000881 975.71844 1153.11658
1086.0 0.000921 975.76276 1133.36389
1104.0 0.000906 975.80707 1115.26514
1073.0 0.000932 975.85156 1099.15186
1051.0 0.000951 975.89618 1085.09656
1053.0 0.000950 975.94110 1073.03857
1046.0 0.000956 975.98615 1062.79773
1065.0 0.000939 976.03131 1054.18103
1030.0 0.000971 976.07648 1046.96631
1045.0 0.000957 976.12189 1040.94702
1027.0 0.000974 976.16754 1035.92859
1026.0 0.000975 976.21344 1031.74109
1015.0 0.000985 976.25922 1028.29480
1021.0 0.000979 976.30511 1025.36792
1002.0 0.000998 976.35138 1022.90924
1013.0 0.000987 976.39783 1020.84149
1017.0 0.000983 976.44415 1019.09875
1027.0 0.000974 976.49060 1017.63818
1014.0 0.000986 976.53754 1016.41046
998.0 0.001002 976.58435 1015.38831
984.0 0.001016 976.63141 1014.55023
1016.0 0.000984 976.67853 1013.87604
1013.0 0.000987 976.72589 1013.35321
1021.0 0.000979 976.77338 1012.96973
1029.0 0.000972 976.82092 1012.71783
1011.0 0.000989 976.86853 1012.59204
1004.0 0.000996 976.91638 1012.58875
1006.0 0.000994 976.96429 1012.70605
1041.0 0.000961 977.01221 1012.94366
991.0 0.001009 977.06061 1013.30341
1001.0 0.000999 977.10907 1013.78827
1023.0 0.000978 977.15729 1014.40222
1016.0 0.000984 977.20593 1015.15186
1008.0 0.000992 977.25464 1016.04480
1040.0 0.000962 977.30347 1017.09058
1026.0 0.000975 977.35248 1018.29944
1011.0 0.000989 977.40137 1019.68457
1052.0 0.000951 977.45050 1021.25885
1050.0 0.000952 977.49976 1023.03839
1025.0 0.000976 977.54919 1025.04272
1048.0 0.000954 977.59875 1027.28821
1048.0 0.000954 977.64832 1029.80127
1025.0 0.000976 977.69806 1032.60352
1024.0 0.000977 977.74768 1035.72620
1049.0 0.000953 977.79761 1039.20251
1030.0 0.000971 977.84760 1043.06201
1042.0 0.000960 977.89777 1047.34338
1058.0 0.000945 977.94818 1052.07581
1047.0 0.000955 977.99841 1057.29285
1021.0 0.000979 978.04883 1063.23816
1043.0 0.000959 978.09949 1069.50500
1020.0 0.000980 978.14996 1076.31970
1060.0 0.000943 978.20087 1083.66870
1049.0 0.000953 978.25146 1091.52417
1060.0 0.000943 978.30231 1099.83020
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