#------------------------------------------------------------------------------
#$Date: 2025-07-01 14:02:14 +0300 (Tue, 01 Jul 2025) $
#$Revision: 1170 $
#$URL: svn://localhost/testcod/cif/2/00/00/2000038.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000038
loop_
_publ_author_name
'Rammohan, Alagappa'
'Kaduk, James A.'
_publ_section_title
;
 Crystal structure of dirubidium hydrogen citrate from laboratory X-ray
 powder diffraction data and DFT comparison
;
_journal_coeditor_code           VN2120
_journal_issue                   1
_journal_name_full
'Acta Crystallographica Section E Crystallographic Communications'
_journal_page_first              92
_journal_page_last               95
_journal_paper_doi               10.1107/S2056989016020168
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '2Rb +, H C6 H5 O7 2-'
_chemical_formula_moiety         '2(Rb +), H C6 H5 O7 2-'
_chemical_formula_structural     'Rb2 H C6 H5 O7'
_chemical_formula_sum            'C6 H6 O7 Rb2'
_chemical_formula_weight         361.04
_chemical_name_common            'dirubidium hydrogen citrate'
_chemical_name_systematic        'Dirubidium hydrogen citrate'
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_audit_creation_method           'from EXP file using GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 93.9341(13)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   5.97796(17)
_cell_length_b                   15.0960(4)
_cell_length_c                   5.32067(19)
_cell_measurement_temperature    300
_cell_volume                     479.02(3)
_computing_data_collection
;
<i>DIFFRAC.Measurement</i> (Bruker, 2009)
;
_computing_molecular_graphics
;
DIAMOND (Crystal Impact, 2015)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement  GSAS
_computing_structure_solution
;
<i>Endeavour</i> (Putz <i>et al.</i>, 1999)
;
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type  'Bruker D2 Phaser'
_exptl_absorpt_correction_T_max  0.80324
_exptl_absorpt_correction_T_min  0.51355
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 3
 Surface roughness abs. correction (Suortti)
Terms =     0.34000        0.70000
Correction is not refined.
;
_exptl_crystal_density_diffrn    2.503
_pd_block_id                     2016-12-11T10:41|RAMM020C|James_A._Kaduk|D2
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.02021
_pd_meas_2theta_range_max        70.00603
_pd_meas_2theta_range_min        4.9978
_pd_meas_number_of_points        3217
_pd_meas_scan_method             step
_pd_phase_name                   'Rb2 H C6 H5 O7?'
_pd_prep_temperature             333
_pd_proc_2theta_range_inc        0.02021
_pd_proc_2theta_range_max        70.05003
_pd_proc_2theta_range_min        5.0418
_pd_proc_info_datetime           2016-12-11T10:41:50
_pd_proc_ls_background_function
;   GSAS Background function number 1 with  4 terms.
 Shifted Chebyshev function of 1st kind
      1:    3185.87     2:   -310.317     3:   -87.5319     4:    63.9418
;
_pd_proc_ls_peak_cutoff          0.01000
_pd_proc_ls_profile_function
;
CW Profile function number 4 with  21 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.
Microstrain broadening by P.W. Stephens,  (1999). J. Appl.
Cryst.,32,281-289.
#1(GU)   =  142.783 #2(GV)   =    0.000 #3(GW)   =    4.751
#4(GP)   =    0.000 #5(LX)   =    5.874 #6(ptec) =    -0.71
#7(trns) =     1.83 #8(shft) = -25.7226 #9(sfec) =     0.00
#10(S/L) =   0.0441 #11(H/L) =   0.0005 #12(eta) =   0.0000
#13(S400 ) =  3.9E-02 #14(S040 ) =  8.9E-05 #15(S004 ) =  3.1E-01
#16(S220 ) =  9.7E-03 #17(S202 ) = -6.4E-02 #18(S022 ) =  5.7E-04
#19(S301 ) = -8.2E-03 #20(S103 ) =  2.5E-02 #21(S121 ) = -8.8E-03
Peak tails are ignored  where the intensity is below 0.0100 times the peak
  Aniso. broadening axis   0.0   1.0   0.0
;
_pd_proc_ls_prof_R_factor        0.0212
_pd_proc_ls_prof_wR_expected     0.0154
_pd_proc_ls_prof_wR_factor       0.0277
_pd_proc_number_of_points        3217
_pd_spec_mounting                'Normal sample holder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_pd_spec_size_axial              24
_pd_spec_size_equat              24
_refine_diff_density_max         0.46
_refine_diff_density_min         -0.41
_refine_ls_goodness_of_fit_all   1.82
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     49
_refine_ls_number_restraints     15
_refine_ls_shift/su_max          0.08
_refine_ls_shift/su_mean         0.01
_refine_ls_weighting_scheme      sigma
_reflns_number_total             428
_cod_data_source_file            vn2120sup1.cif
_cod_data_source_block           RAMM020C_publ
_cod_original_cell_volume        479.02(4)
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               2000038
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y+1/2,-z
-1 -x,-y,-z
-2 +x,-y+1/2,+z
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
C C1 0.2727(12) 0.4151(4) 0.5145(14) 0.0556(15) Uiso 1.0 4
C C2 0.3859(11) 0.33308(16) 0.4236(14) 0.026(4) Uiso 1.0 4
C C3 0.2821(12) 0.25 0.5368(15) 0.026(4) Uiso 1.0 2
C C6 0.0268(13) 0.25 0.463(2) 0.0556(15) Uiso 1.0 2
H H7 0.56395 0.33136 0.47541 0.018(5) Uiso 1.0 4
H H8 0.35795 0.33169 0.21841 0.018(5) Uiso 1.0 4
O O11 0.1036(11) 0.4467(5) 0.3841(15) 0.0556(15) Uiso 1.0 4
O O12 0.3502(12) 0.4512(5) 0.7178(14) 0.0556(15) Uiso 1.0 4
O O15 -0.0968(16) 0.25 0.650(2) 0.0556(15) Uiso 1.0 2
O O16 -0.0415(16) 0.25 0.232(2) 0.0556(15) Uiso 1.0 2
O O17 0.3416(14) 0.25 0.7999(15) 0.0556(15) Uiso 1.0 2
H H18 0.17127 0.25 0.87091 0.068(2) Uiso 1.0 2
Rb Rb19 -0.2264(3) 0.10523(10) -0.0313(3) 0.0590(9) Uiso 1.0 4
H H21 0.0 0.0 0.5 0.07 Uiso 1.0 2
loop_
_atom_type_symbol
_atom_type_number_in_cell
_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_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 12.0 2.31000 20.8439 1.02000 10.2075 1.58860 0.56870 0.86500 51.6512 0.21560
0.000 0.000 International_Tables_Vol_C
H 12.0 0.49300 10.5109 0.32291 26.1257 0.14019 3.14236 0.04081 57.7997 0.00304
0.000 0.000 International_Tables_Vol_C
O 14.0 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080
0.000 0.000 International_Tables_Vol_C
Rb 4.0 17.1784 1.78880 9.64350 17.3151 5.13990 0.27480 1.52920 164.934 3.48730
0.000 0.000 International_Tables_Vol_C
loop_
_diffrn_radiation_type
_diffrn_radiation_wavelength
K\a~1~ 1.540629
K\a~2~ 1.544451
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 O11 1_555 . 1_555 119.2(4) n
C2 C1 O12 1_555 . 1_555 118.7(4) n
O11 C1 O12 1_555 . 1_555 122.1(4) n
C1 C2 C3 1_555 . 1_555 110.0(4) n
C1 C2 H7 1_555 . 1_555 113.2(4) n
C1 C2 H8 1_555 . 1_555 17.29(4) n
C3 C2 H7 1_555 . 1_555 107.3(5) n
C3 C2 H8 1_555 . 1_555 109.7(5) n
H7 C2 H8 1_555 . 1_555 109.5(5) n
C2 C3 C2 1_555 . -2_565 109.1(4) n
C2 C3 C6 1_555 . 1_555 108.5(4) n
C2 C3 O17 1_555 . 1_555 107.8(4) n
C2 C3 C6 -2_565 . 1_555 108.5(4) n
C2 C3 O17 -2_565 . 1_555 107.8(4) n
C6 C3 O17 1_555 . 1_555 115.2(7) n
C3 C6 O15 1_555 . 1_555 114.4(9) n
C3 C6 O16 1_555 . 1_555 119.5(9) n
O15 C6 O16 1_555 . 1_555 126.1(9) n
C1 O11 Rb19 1_555 . 2_555 113.5(7) n
C1 O11 Rb19 1_555 . -2_565 140.0(4) n
Rb19 O11 Rb19 2_555 . -2_565 85.8(2) n
C1 O12 Rb19 1_555 . 2_556 136.0(4) n
C1 O12 Rb19 1_555 . -2_666 121.4(4) n
Rb19 O12 Rb19 2_556 . -2_666 102.3(2) n
C6 O15 Rb19 1_555 . 1_556 130.21(19) n
C6 O15 Rb19 1_555 . -2_566 130.21(19) n
Rb19 O15 Rb19 1_556 . -2_566 97.7(3) n
C6 O16 Rb19 1_555 . 1_555 125.3(2) n
C6 O16 Rb19 1_555 . -2_565 125.3(2) n
Rb19 O16 Rb19 1_555 . -2_565 103.5(4) n
C3 O17 H18 1_555 . 1_555 99.3(7) n
O11 Rb19 O11 2_545 . -2_565 94.2(2) n
O11 Rb19 O12 2_545 . 2_546 79.54(16) n
O11 Rb19 O12 2_545 . -2_464 74.7(2) n
O11 Rb19 O15 2_545 . 1_554 98.11(18) n
O11 Rb19 O16 2_545 . 1_555 142.5(2) n
O11 Rb19 O12 -2_565 . 2_546 63.59(19) n
O11 Rb19 O12 -2_565 . -2_464 141.13(14) n
O11 Rb19 O15 -2_565 . 1_554 116.3(2) n
O11 Rb19 O16 -2_565 . 1_555 67.2(2) n
O12 Rb19 O12 2_546 . -2_464 77.7(2) n
O12 Rb19 O15 2_546 . 1_554 177.6(2) n
O12 Rb19 O16 2_546 . 1_555 115.8(3) n
O12 Rb19 O15 -2_464 . 1_554 102.2(2) n
O12 Rb19 O16 -2_464 . 1_555 139.9(2) n
O15 Rb19 O16 1_554 . 1_555 65.8(2) n
O11 H21 O11 2_546 . -2_565 180.0 n
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1_555 1.5070(17) n
C1 O11 . 1_555 1.278(5) n
C1 O12 . 1_555 1.270(5) n
C2 C1 . 1_555 1.5070(17) n
C2 C3 . 1_555 1.5400(17) n
C2 H7 . 1_555 1.081(7) n
C2 H8 . 1_555 1.093(7) n
C3 C2 . 1_555 1.5400(17) n
C3 C2 . -2_555 1.5400(17) n
C3 C6 . 1_555 1.5499(18) n
C3 O17 . 1_555 1.420(5) n
C6 C3 . 1_555 1.5499(18) n
C6 O15 . 1_555 1.281(5) n
C6 O16 . 1_555 1.267(5) n
H7 C2 . 1_555 1.081(7) n
H8 C2 . 1_555 1.093(8) n
O11 C1 . 1_555 1.278(5) n
O11 Rb19 . 2_555 3.159(7) n
O11 Rb19 . -2_555 2.965(7) n
O11 H21 . 2_556 1.209(6) n
O12 C1 . 1_555 1.270(5) n
O12 Rb19 . 2_556 2.984(6) n
O12 Rb19 . -2_656 2.907(7) n
O15 C6 . 1_555 1.281(5) n
O15 Rb19 . 1_556 2.903(7) n
O15 Rb19 . -2_556 2.903(7) n
O16 C6 . 1_555 1.267(5) n
O16 Rb19 . 1_555 2.784(7) n
O16 Rb19 . -2_555 2.784(7) n
O17 C3 . 1_555 1.420(5) n
O17 H18 . 1_555 1.110(8) n
O17 Rb19 . 1_656 3.454(7) n
O17 Rb19 . -2_656 3.455(7) n
H18 O17 . 1_555 1.110(8) n
Rb19 O11 . 2_545 3.159(7) n
Rb19 O11 . -2_555 2.965(7) n
Rb19 O12 . 2_546 2.984(6) n
Rb19 O12 . -2_454 2.907(7) n
Rb19 O15 . 1_554 2.903(7) n
Rb19 O16 . 1_555 2.784(7) n
Rb19 O17 . 1_454 3.454(7) n
H21 O11 . 2_546 1.209(6) n
H21 O11 . -2_555 1.209(6) n
loop_
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
_pd_meas_counts_total
. . . 7127.0
. . . 6761.0
. . . 6710.0
. . . 6351.0
. . . 6376.0
. . . 6466.0
. . . 6046.0
. . . 6000.0
. . . 6043.0
. . . 5881.0
. . . 5869.0
. . . 5668.0
. . . 5542.0
. . . 5532.0
. . . 5537.0
. . . 5389.0
. . . 5281.0
. . . 5359.0
. . . 5221.0
. . . 5148.0
. . . 4966.0
. . . 4898.0
. . . 4891.0
. . . 4812.0
. . . 4839.0
. . . 4824.0
. . . 4860.0
. . . 4658.0
. . . 4532.0
. . . 4400.0
. . . 4348.0
. . . 4511.0
. . . 4296.0
. . . 4393.0
. . . 4203.0
. . . 4195.0
. . . 4255.0
. . . 4131.0
. . . 4062.0
. . . 4090.0
. . . 4091.0
. . . 4008.0
. . . 4043.0
. . . 3986.0
. . . 3910.0
. . . 3853.0
. . . 3734.0
. . . 3796.0
. . . 3793.0
. . . 3795.0
. . . 3678.0
. . . 3655.0
. . . 3611.0
. . . 3582.0
. . . 3623.0
. . . 3718.0
. . . 3618.0
. . . 3536.0
. . . 3641.0
. . . 3489.0
. . . 3524.0
. . . 3590.0
. . . 3395.0
. . . 3463.0
. . . 3437.0
. . . 3460.0
. . . 3524.0
. . . 3397.0
. . . 3375.0
. . . 3413.0
. . . 3350.0
. . . 3265.0
. . . 3320.0
. . . 3317.0
. . . 3279.0
. . . 3266.0
. . . 3226.0
. . . 3346.0
. . . 3156.0
. . . 3275.0
. . . 3061.0
. . . 3143.0
. . . 3090.0
. . . 3088.0
. . . 3199.0
. . . 3115.0
. . . 3168.0
. . . 3123.0
. . . 3078.0
. . . 2980.0
. . . 3127.0
. . . 3162.0
. . . 3113.0
. . . 2944.0
. . . 3056.0
. . . 3049.0
. . . 3044.0
. . . 2963.0
. . . 3052.0
. . . 2953.0
. . . 3126.0
. . . 3020.0
. . . 3086.0
. . . 3057.0
. . . 2987.0
. . . 3022.0
. . . 2948.0
. . . 3049.0
. . . 2904.0
. . . 2881.0
. . . 2879.0
. . . 2921.0
. . . 2914.0
. . . 2944.0
. . . 2953.0
. . . 2866.0
. . . 2934.0
. . . 2974.0
. . . 2974.0
. . . 2979.0
. . . 2974.0
. . . 2871.0
. . . 2869.0
. . . 2795.0
. . . 2899.0
. . . 2876.0
. . . 2909.0
. . . 2881.0
. . . 2881.0
. . . 2882.0
. . . 2846.0
. . . 2896.0
. . . 2895.0
. . . 2823.0
. . . 2834.0
. . . 2860.0
. . . 2908.0
. . . 2774.0
. . . 2920.0
. . . 2827.0
. . . 2944.0
. . . 2824.0
. . . 2852.0
. . . 2814.0
. . . 2919.0
. . . 2710.0
. . . 2805.0
. . . 2935.0
. . . 2828.0
. . . 2872.0
. . . 2891.0
. . . 2893.0
. . . 2854.0
. . . 2861.0
. . . 2806.0
. . . 2780.0
. . . 2873.0
. . . 2852.0
. . . 2827.0
. . . 2974.0
. . . 2852.0
. . . 2840.0
. . . 2841.0
. . . 2832.0
. . . 2876.0
. . . 2891.0
. . . 2932.0
. . . 2946.0
. . . 2848.0
. . . 2794.0
. . . 2921.0
. . . 2844.0
. . . 2665.0
. . . 2830.0
. . . 2849.0
. . . 2818.0
. . . 2836.0
. . . 2928.0
. . . 2831.0
. . . 2841.0
. . . 2811.0
. . . 2803.0
. . . 2845.0
. . . 2830.0
. . . 2869.0
. . . 2924.0
. . . 2918.0
. . . 2784.0
. . . 2780.0
. . . 2813.0
. . . 2807.0
. . . 2892.0
. . . 2934.0
. . . 2828.0
. . . 2865.0
. . . 2860.0
. . . 2795.0
. . . 2955.0
. . . 2880.0
. . . 2870.0
. . . 2782.0
. . . 2825.0
. . . 2820.0
. . . 2791.0
. . . 2797.0
. . . 2910.0
. . . 2871.0
. . . 2769.0
. . . 2843.0
. . . 2883.0
. . . 2895.0
. . . 2890.0
. . . 2879.0
. . . 2798.0
. . . 2886.0
. . . 2926.0
. . . 2890.0
. . . 2923.0
. . . 3032.0
. . . 2839.0
. . . 2887.0
. . . 2841.0
. . . 2780.0
. . . 2872.0
. . . 2903.0
. . . 2872.0
. . . 2829.0
. . . 2784.0
. . . 2775.0
. . . 3017.0
. . . 2826.0
. . . 2976.0
. . . 2874.0
. . . 2908.0
. . . 2862.0
. . . 2860.0
. . . 2841.0
. . . 2812.0
. . . 2946.0
. . . 2990.0
. . . 2954.0
. . . 2885.0
. . . 2792.0
. . . 2871.0
. . . 2937.0
. . . 2902.0
. . . 2804.0
. . . 2922.0
. . . 2906.0
. . . 2916.0
. . . 2819.0
. . . 2904.0
. . . 2885.0
. . . 2841.0
. . . 2831.0
. . . 3005.0
. . . 2907.0
. . . 2952.0
. . . 2871.0
. . . 2877.0
. . . 2857.0
. . . 2902.0
. . . 2973.0
. . . 2908.0
. . . 2917.0
. . . 3018.0
. . . 2964.0
. . . 2867.0
. . . 2941.0
. . . 2833.0
. . . 2901.0
. . . 2886.0
. . . 2969.0
. . . 2917.0
. . . 2874.0
. . . 2962.0
. . . 2934.0
. . . 2934.0
. . . 2909.0
. . . 3006.0
. . . 2860.0
. . . 2897.0
. . . 2918.0
. . . 2852.0
. . . 2998.0
. . . 3012.0
. . . 2925.0
. . . 2967.0
. . . 2971.0
. . . 2934.0
. . . 2910.0
. . . 2884.0
. . . 2885.0
. . . 2887.0
. . . 2964.0
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0.0003308 2861.57910 3033.85303 3023.0
0.0003471 2861.45679 3020.79956 2881.0
0.0003311 2861.33521 3010.61523 3020.0
0.0003218 2861.21387 3004.68481 3108.0
0.0003448 2861.09351 3003.42407 2900.0
0.0003386 2860.97339 3008.71484 2953.0
0.0003416 2860.85400 3017.30957 2927.0
0.0003306 2860.73511 3030.36621 3025.0
0.0003309 2860.61670 3047.52979 3022.0
0.0003292 2860.49902 3067.64551 3038.0
0.0003243 2860.38184 3085.59741 3084.0
0.0003191 2860.26514 3107.91162 3134.0
0.0003189 2860.14917 3128.16504 3136.0
0.0003132 2860.03369 3145.19580 3193.0
0.0002958 2859.91870 3158.74048 3381.0
0.0002970 2859.80444 3166.26074 3367.0
0.0003042 2859.69067 3169.45972 3287.0
0.0002955 2859.57739 3168.63477 3384.0
0.0003116 2859.46484 3165.65161 3209.0
0.0003036 2859.35254 3156.02856 3294.0
0.0003119 2859.24121 3146.35376 3206.0
0.0003155 2859.13013 3135.41113 3170.0
0.0003136 2859.01978 3123.83398 3189.0
0.0003171 2858.90991 3110.52905 3154.0
0.0003128 2858.80078 3099.36670 3197.0
0.0003121 2858.69214 3089.20703 3204.0
0.0003200 2858.58398 3081.11426 3125.0
0.0003132 2858.47656 3075.73486 3193.0
0.0003200 2858.36963 3074.50024 3125.0
0.0003144 2858.26318 3076.42358 3181.0
0.0003280 2858.15723 3082.96533 3049.0
0.0003233 2858.05200 3094.32715 3093.0
0.0003189 2857.94751 3109.46753 3136.0
0.0003269 2857.84351 3129.15869 3059.0
0.0003247 2857.73999 3151.42505 3080.0
0.0003203 2857.63696 3174.55859 3122.0
0.0003195 2857.53467 3196.76440 3130.0
0.0002966 2857.43286 3216.43555 3371.0
0.0002965 2857.33154 3232.44653 3373.0
0.0003014 2857.23120 3244.29395 3318.0
0.0002972 2857.13110 3252.14160 3365.0
0.0003029 2857.03149 3256.78076 3301.0
0.0003137 2856.93262 3259.52832 3188.0
0.0003039 2856.83447 3261.80420 3291.0
0.0003115 2856.73682 3264.91626 3210.0
0.0003054 2856.63965 3269.67603 3274.0
0.0003121 2856.54321 3276.30615 3204.0
0.0003030 2856.44727 3284.49219 3300.0
0.0003035 2856.35181 3292.21338 3295.0
0.0003002 2856.25708 3300.85791 3331.0
0.0002976 2856.16284 3307.67334 3360.0
0.0003077 2856.06934 3311.10889 3250.0
0.0003004 2855.97632 3308.78174 3329.0
0.0003041 2855.88379 3301.59106 3288.0
0.0003019 2855.79199 3288.29663 3312.0
0.0003025 2855.70068 3269.60107 3306.0
0.0003070 2855.61011 3247.01636 3257.0
0.0003199 2855.52002 3221.68726 3126.0
0.0003180 2855.43042 3196.56543 3145.0
0.0003201 2855.34155 3174.29883 3124.0
0.0003341 2855.25342 3151.21826 2993.0
0.0003231 2855.16553 3129.35571 3095.0
0.0003287 2855.07861 3107.78516 3042.0
0.0003213 2854.99194 3086.98633 3112.0
0.0003251 2854.90601 3066.06787 3076.0
0.0003362 2854.82080 3046.25537 2974.0
0.0003323 2854.73608 3025.29590 3009.0
0.0003385 2854.65186 3004.86157 2954.0
0.0003431 2854.56836 2985.37817 2915.0
0.0003458 2854.48535 2968.36353 2892.0
0.0003408 2854.40308 2952.88525 2934.0
0.000353 2854.32129 2937.74878 2833.0
0.0003429 2854.23999 2925.67236 2916.0
0.000357 2854.15967 2915.74072 2798.0
0.000359 2854.07959 2907.99365 2789.0
0.0003455 2854.00024 2901.34595 2894.0
0.0003418 2853.92163 2897.80542 2926.0
0.0003454 2853.84351 2896.12207 2895.0
0.000357 2853.76587 2896.26563 2798.0
0.000355 2853.68896 2898.29517 2815.0
0.000357 2853.61255 2902.79980 2803.0
0.000355 2853.53687 2908.80249 2818.0
0.0003455 2853.46167 2917.84302 2894.0
0.0003393 2853.38721 2930.15479 2947.0
0.0003426 2853.31323 2945.37671 2919.0
0.0003419 2853.23999 2963.29224 2925.0
0.0003352 2853.16724 2986.61133 2983.0
0.0003376 2853.09521 3012.26343 2962.0
0.000351 2853.02368 3041.68530 2850.0
0.0003384 2852.95288 3072.17163 2955.0
0.0003344 2852.88257 3106.97021 2990.0
0.0003237 2852.81274 3143.17090 3089.0
0.0003147 2852.74390 3179.73389 3178.0
0.0003199 2852.67529 3217.45752 3126.0
0.0003160 2852.60742 3251.29663 3165.0
0.0003011 2852.54028 3282.34985 3321.0
0.0002982 2852.47363 3310.54834 3354.0
0.0002894 2852.40771 3334.66333 3456.0
0.0002863 2852.34229 3354.32520 3493.0
0.0002938 2852.27759 3370.90723 3404.0
0.0002941 2852.21338 3382.69849 3400.0
0.0002899 2852.14990 3389.00024 3449.0
0.0002931 2852.08691 3390.28149 3412.0
0.0002958 2852.02466 3385.42505 3381.0
0.0002940 2851.96313 3373.72998 3401.0
. . . 3363.0
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_pd_refln_wavelength_id
_refln_observed_status
_refln_F_squared_meas
_refln_F_squared_calc
_refln_phase_calc
_refln_d_spacing
_gsas_i100_meas
1 0 0 1 o 864.192 907.068 0.00 5.96377 6.15
1 0 0 2 o 920.514 907.068 0.00 5.96377 3.26
1 1 0 1 o 986.107 995.043 0.00 5.54660 10.05
1 1 0 2 o 1007.178 995.043 0.00 5.54660 5.12
0 0 1 1 o 1556.574 1475.083 0.00 5.30808 6.20
0 0 1 2 o 1556.019 1475.083 0.00 5.30808 3.08
0 1 1 1 o 374.372 368.874 0.00 5.00752 2.65
0 1 1 2 o 378.216 368.874 0.00 5.00752 1.33
1 2 0 1 o 24.825 46.479 180.00 4.67935 0.17
1 2 0 2 o 10.435 46.479 180.00 4.67935 0.04
0 2 1 1 o 933.422 739.967 0.00 4.34187 4.35
0 2 1 2 o 804.996 739.967 0.00 4.34187 1.86
1 0 -1 1 o 324.798 307.712 0.00 4.10747 1.52
1 0 -1 2 o 465.289 307.712 0.00 4.10747 1.11
1 1 -1 1 o 11852.598 11782.224 0.00 3.96337 100.00
1 1 -1 2 o 11878.916 11782.224 0.00 3.96337 49.87
1 3 0 1 o 5398.960 5289.295 0.00 3.84582 19.12
1 0 1 1 o 1.002 0.975 180.00 3.83642 0.00
1 3 0 2 o 5453.201 5289.295 0.00 3.84582 9.61
1 0 1 2 o 1.030 0.975 180.00 3.83642 0.00
0 4 0 1 o 3041.066 3216.392 180.00 3.77387 4.45
0 4 0 2 o 3014.051 3216.392 180.00 3.77387 2.19
1 1 1 1 o 6573.039 6900.210 0.00 3.71822 19.83
1 1 1 2 o 6446.938 6900.210 0.00 3.71822 9.67
0 3 1 1 o 333.600 293.184 0.00 3.65180 1.01
0 3 1 2 o 372.568 293.184 0.00 3.65180 0.56
1 2 -1 1 o 45.436 10.062 0.00 3.60783 0.25
1 2 -1 2 o 144.785 10.062 0.00 3.60783 0.41
1 2 1 1 o 0.092 5.392 180.00 3.41999 0.00
1 2 1 2 o 0.092 5.392 180.00 3.41999 0.00
1 4 0 1 o 306.326 240.429 0.00 3.18901 0.77
1 3 -1 1 o 17077.102 17074.400 0.00 3.18194 58.69
1 4 0 2 o 239.965 240.429 0.00 3.18901 0.30
1 3 -1 2 o 16968.996 17074.400 0.00 3.18194 29.02
0 4 1 1 o 10483.396 10579.331 180.00 3.07574 22.11
0 4 1 2 o 10445.744 10579.331 180.00 3.07574 10.96
1 3 1 1 o 12817.411 12746.643 0.00 3.05084 27.32
1 3 1 2 o 12928.666 12746.643 0.00 3.05084 13.72
2 0 0 1 o 11411.821 11345.744 180.00 2.98189 20.74
2 0 0 2 o 11493.549 11345.744 180.00 2.98189 10.40
2 1 0 1 o 3489.835 3550.465 0.00 2.92536 12.13
2 1 0 2 o 3599.237 3550.465 0.00 2.92536 6.22
1 4 -1 1 o 4272.681 4350.019 180.00 2.77899 9.50
2 2 0 1 o 1346.515 1361.701 180.00 2.77330 3.82
1 4 -1 2 o 4309.247 4350.019 180.00 2.77899 4.77
2 2 0 2 o 1351.633 1361.701 180.00 2.77330 1.91
1 5 0 1 o 2803.393 3188.301 180.00 2.69360 4.75
1 4 1 1 o 1.176 1.337 180.00 2.69037 0.00
1 5 0 2 o 2971.896 3188.301 180.00 2.69360 2.51
1 4 1 2 o 1.283 1.337 180.00 2.69037 0.00
2 0 -1 1 o 2582.872 2605.997 180.00 2.67946 5.28
2 0 -1 2 o 2585.624 2605.997 180.00 2.67946 2.63
0 0 2 1 o 7589.234 8152.417 0.00 2.65404 8.37
0 0 2 2 o 7837.853 8152.417 0.00 2.65404 4.31
2 1 -1 1 o 1316.021 1358.142 0.00 2.63822 5.23
2 1 -1 2 o 1353.012 1358.142 0.00 2.63822 2.68
0 1 2 1 o 1047.861 1004.864 0.00 2.61395 2.24
0 5 1 1 o 358.257 343.799 0.00 2.62430 0.58
0 1 2 2 o 1023.258 1004.864 0.00 2.61395 1.09
0 5 1 2 o 364.654 343.799 0.00 2.62430 0.29
2 3 0 1 o 46.602 30.201 0.00 2.56528 0.09
2 3 0 2 o 27.506 30.201 0.00 2.56528 0.03
2 0 1 1 o 16736.324 16623.607 180.00 2.52677 14.82
2 2 -1 1 o 25.600 25.240 0.00 2.52507 0.11
2 0 1 2 o 17219.777 16623.607 180.00 2.52677 7.59
2 2 -1 2 o 26.835 25.240 0.00 2.52507 0.05
0 6 0 1 o 13356.861 12398.170 180.00 2.51591 9.59
0 6 0 2 o 14040.342 12398.170 180.00 2.51591 5.02
0 2 2 1 o 355.522 313.089 0.00 2.50376 0.66
0 2 2 2 o 339.084 313.089 0.00 2.50376 0.31
2 1 1 1 o 443.693 437.226 180.00 2.49210 0.79
1 0 -2 1 o 1064.190 1058.770 0.00 2.48905 1.67
2 1 1 2 o 438.286 437.226 180.00 2.49210 0.39
1 0 -2 2 o 1075.855 1058.770 0.00 2.48905 0.84
1 1 -2 1 o 2519.795 2678.274 0.00 2.45588 7.64
1 1 -2 2 o 2513.333 2678.274 0.00 2.45588 3.79
1 5 -1 1 o 795.641 736.562 0.00 2.43265 1.29
1 5 -1 2 o 947.013 736.562 0.00 2.43265 0.76
2 2 1 1 o 1183.325 984.853 180.00 2.39607 1.86
2 2 1 2 o 1090.485 984.853 180.00 2.39607 0.85
1 0 2 1 o 18.930 19.441 180.00 2.36523 0.01
1 5 1 1 o 1645.538 1806.954 180.00 2.37254 2.22
1 0 2 2 o 18.576 19.441 180.00 2.36523 0.00
1 5 1 2 o 1752.694 1806.954 180.00 2.37254 1.18
2 3 -1 1 o 1883.304 1939.545 0.00 2.36504 4.65
1 2 -2 1 o 1179.279 1221.513 0.00 2.36383 3.13
2 3 -1 2 o 1832.942 1939.545 0.00 2.36504 2.25
1 2 -2 2 o 1146.556 1221.513 0.00 2.36383 1.51
0 3 2 1 o 1871.717 1920.329 0.00 2.34751 2.90
0 3 2 2 o 1918.072 1920.329 0.00 2.34751 1.48
2 4 0 1 o 8028.951 8051.503 0.00 2.33967 13.09
1 1 2 1 o 1473.382 1492.285 0.00 2.33672 1.74
2 4 0 2 o 7823.513 8051.503 0.00 2.33967 6.34
1 1 2 2 o 1428.058 1492.285 0.00 2.33672 0.84
1 6 0 1 o 1443.902 1452.186 180.00 2.31808 1.83
1 6 0 2 o 1601.180 1452.186 180.00 2.31808 1.01
0 6 1 1 o 1870.051 1591.733 180.00 2.27347 2.14
0 6 1 2 o 1802.653 1591.733 180.00 2.27347 1.03
2 3 1 1 o 478.097 408.392 0.00 2.25806 0.66
1 2 2 1 o 2.572 2.126 0.00 2.25700 0.00
2 3 1 2 o 471.653 408.392 0.00 2.25806 0.33
1 2 2 2 o 2.603 2.126 0.00 2.25700 0.00
1 3 -2 1 o 2609.539 2445.673 0.00 2.23101 5.21
1 3 -2 2 o 2530.266 2445.673 0.00 2.23101 2.51
2 4 -1 1 o 6978.014 6843.326 0.00 2.18478 12.67
2 4 -1 2 o 6801.385 6843.326 0.00 2.18478 6.14
0 4 2 1 o 8381.899 8526.368 180.00 2.17094 10.49
0 4 2 2 o 8174.808 8526.368 180.00 2.17094 5.09
1 6 -1 1 o 173.740 177.870 0.00 2.14543 0.22
1 3 2 1 o 10853.324 10044.627 0.00 2.14054 11.36
1 6 -1 2 o 195.534 177.870 0.00 2.14543 0.12
1 3 2 2 o 10600.213 10044.627 0.00 2.14054 5.52
2 5 0 1 o 17.679 16.508 0.00 2.12155 0.02
2 5 0 2 o 21.787 16.508 0.00 2.12155 0.02
1 6 1 1 o 72.875 76.007 0.00 2.10386 0.08
2 4 1 1 o 2398.167 2494.953 0.00 2.09961 2.67
1 6 1 2 o 72.950 76.007 0.00 2.10386 0.04
2 4 1 2 o 2456.882 2494.953 0.00 2.09961 1.36
1 4 -2 1 o 1697.707 1639.839 180.00 2.07781 2.64
1 4 -2 2 o 1801.645 1639.839 180.00 2.07781 1.39
2 0 -2 1 o 7996.136 7966.246 180.00 2.05373 10.64
2 0 -2 2 o 8357.511 7966.246 180.00 2.05373 5.54
2 1 -2 1 o 384.988 398.032 0.00 2.03499 0.94
2 1 -2 2 o 380.929 398.032 0.00 2.03499 0.46
1 7 0 1 o 8170.778 8501.959 180.00 2.02798 7.71
1 7 0 2 o 8314.571 8501.959 180.00 2.02798 3.90
1 4 2 1 o 868.664 739.751 0.00 2.00414 0.81
2 5 -1 1 o 457.534 386.394 0.00 2.00403 0.65
1 4 2 2 o 808.759 739.751 0.00 2.00414 0.37
2 5 -1 2 o 422.180 386.394 0.00 2.00403 0.30
0 7 1 1 o 572.997 550.384 180.00 1.99791 0.52
3 0 0 1 o -0.977 1.535 0.00 1.98792 0.00
0 5 2 1 o 78.431 102.478 180.00 1.99333 0.08
0 7 1 2 o 402.657 550.384 180.00 1.99791 0.18
3 0 0 2 o 0.157 1.535 0.00 1.98792 0.00
0 5 2 2 o 69.966 102.478 180.00 1.99333 0.03
2 2 -2 1 o 501.359 590.091 180.00 1.98168 1.13
2 2 -2 2 o 524.520 590.091 180.00 1.98168 0.59
3 1 0 1 o 1325.674 1596.406 180.00 1.97091 2.12
3 1 0 2 o 1204.337 1596.406 180.00 1.97091 0.95
2 5 1 1 o 54.986 51.224 180.00 1.93769 0.05
2 5 1 2 o 39.771 51.224 180.00 1.93769 0.02
3 2 0 1 o 355.157 336.178 180.00 1.92237 0.54
1 5 -2 1 o 585.552 533.251 180.00 1.92052 0.70
2 0 2 1 o 4797.188 4367.164 180.00 1.91821 2.01
3 2 0 2 o 368.828 336.178 180.00 1.92237 0.28
2 6 0 1 o 3007.356 2855.920 0.00 1.92291 2.90
1 5 -2 2 o 570.857 533.251 180.00 1.92052 0.34
2 0 2 2 o 4520.158 4367.164 180.00 1.91821 0.94
2 6 0 2 o 3140.219 2855.920 0.00 1.92291 1.51
3 0 -1 1 o 2094.600 2011.984 180.00 1.90509 2.12
2 1 2 1 o 134.810 129.464 180.00 1.90291 0.12
1 7 -1 1 o 4620.401 4466.928 180.00 1.90934 3.89
2 3 -2 1 o 1484.706 1428.285 0.00 1.90145 2.71
3 0 -1 2 o 2088.760 2011.984 180.00 1.90509 1.05
2 1 2 2 o 132.686 129.464 180.00 1.90291 0.06
1 7 -1 2 o 4653.792 4466.928 180.00 1.90934 1.95
2 3 -2 2 o 1442.552 1428.285 0.00 1.90145 1.31
3 1 -1 1 o 1565.002 1631.640 180.00 1.89009 3.07
3 1 -1 2 o 1451.109 1631.640 180.00 1.89009 1.41
0 8 0 1 o 1774.479 1957.592 0.00 1.88693 0.71
0 8 0 2 o 1723.610 1957.592 0.00 1.88693 0.34
1 7 1 1 o 4682.385 5205.791 180.00 1.87986 3.85
1 7 1 2 o 5012.384 5205.791 180.00 1.87986 2.06
2 2 2 1 o 0.018 0.041 180.00 1.85911 0.00
1 5 2 1 o 3.435 3.267 0.00 1.86189 0.00
2 2 2 2 o -0.087 0.041 180.00 1.85911 0.00
1 5 2 2 o 2.683 3.267 0.00 1.86189 0.00
3 3 0 1 o 6360.757 6350.995 180.00 1.84887 8.24
3 2 -1 1 o 43.131 42.461 180.00 1.84715 0.07
3 3 0 2 o 6410.833 6350.995 180.00 1.84887 4.13
3 2 -1 2 o 42.609 42.461 180.00 1.84715 0.04
2 6 -1 1 o 167.166 136.687 0.00 1.83411 0.15
2 6 -1 2 o 179.380 136.687 0.00 1.83411 0.08
0 6 2 2 o 1540.522 1295.606 180.00 1.82590 0.62
3 0 1 1 o 1689.784 1424.739 180.00 1.82106 0.90
0 6 2 1 o 1705.280 1295.606 180.00 1.82590 1.37
3 0 1 2 o 1593.905 1424.739 180.00 1.82106 0.42
3 1 1 1 o 1950.322 1833.715 180.00 1.80795 1.98
2 4 -2 1 o 1450.355 1470.187 0.00 1.80392 2.09
3 1 1 2 o 1792.825 1833.715 180.00 1.80795 0.90
2 4 -2 2 o 1305.875 1470.187 0.00 1.80392 0.93
1 8 0 1 o 358.542 411.047 0.00 1.79903 0.27
2 3 2 1 o 2.088 2.797 0.00 1.79239 0.00
1 8 0 2 o 334.378 411.047 0.00 1.79903 0.13
2 3 2 2 o 2.232 2.797 0.00 1.79239 0.00
3 3 -1 1 o 3214.096 3398.604 180.00 1.78167 4.87
3 3 -1 2 o 3020.981 3398.604 180.00 1.78167 2.27
2 6 1 1 o 3053.522 3217.925 0.00 1.78285 2.45
2 6 1 2 o 2914.284 3217.925 0.00 1.78285 1.16
0 8 1 1 o 2406.002 2681.675 0.00 1.77794 1.73
3 2 1 1 o 0.003 0.005 180.00 1.77026 0.00
1 6 -2 1 o 581.899 588.433 180.00 1.76944 0.52
0 0 3 1 o 2905.880 2975.238 0.00 1.76936 1.47
0 8 1 2 o 2346.950 2681.675 0.00 1.77794 0.84
3 2 1 2 o 0.006 0.005 180.00 1.77026 0.00
1 6 -2 2 o 585.900 588.433 180.00 1.76944 0.26
0 0 3 2 o 2933.420 2975.238 0.00 1.76936 0.74
3 4 0 1 o 1494.042 1641.767 0.00 1.75883 1.63
0 1 3 1 o 269.802 302.344 0.00 1.75733 0.26
3 4 0 2 o 1386.802 1641.767 0.00 1.75883 0.75
0 1 3 2 o 255.253 302.344 0.00 1.75733 0.12
2 7 0 1 o 683.690 676.905 180.00 1.74742 0.53
2 7 0 2 o 793.415 676.905 180.00 1.74742 0.30
1 0 -3 1 o 5159.236 5395.926 0.00 1.72894 3.67
1 0 -3 2 o 5266.362 5395.926 0.00 1.72894 1.86
1 6 2 1 o 32.010 33.035 0.00 1.72328 0.02
0 2 3 1 o 872.353 899.819 0.00 1.72266 0.83
1 6 2 2 o 32.350 33.035 0.00 1.72328 0.01
0 2 3 2 o 886.532 899.819 0.00 1.72266 0.42
1 1 -3 1 o 1070.157 1079.554 0.00 1.71771 1.45
1 8 -1 1 o 28.344 28.133 0.00 1.71466 0.02
1 1 -3 2 o 1094.650 1079.554 0.00 1.71771 0.74
3 3 1 1 o 1782.429 1749.967 180.00 1.71237 1.52
1 8 -1 2 o 29.047 28.133 0.00 1.71466 0.01
2 4 2 1 o 5430.093 5243.684 0.00 1.70999 3.76
3 3 1 2 o 1789.619 1749.967 180.00 1.71237 0.76
2 4 2 2 o 5128.333 5243.684 0.00 1.70999 1.76
3 4 -1 1 o 1109.569 1297.053 0.00 1.70068 1.37
2 5 -2 1 o 854.534 1068.249 180.00 1.69809 1.02
3 4 -1 2 o 1003.074 1297.053 0.00 1.70068 0.62
2 5 -2 2 o 741.832 1068.249 180.00 1.69809 0.44
1 8 1 1 o 8.218 12.085 180.00 1.69321 0.01
1 2 -3 1 o 99.766 133.989 0.00 1.68529 0.12
1 8 1 2 o 7.245 12.085 180.00 1.69321 0.00
1 2 -3 2 o 150.089 133.989 0.00 1.68529 0.09
2 7 -1 1 o 1446.685 1173.719 180.00 1.67998 1.11
2 7 -1 2 o 1566.692 1173.719 180.00 1.67998 0.60
0 7 2 1 o 150.854 119.602 180.00 1.67366 0.10
0 7 2 2 o 145.375 119.602 180.00 1.67366 0.05
0 3 3 1 o 262.367 215.251 0.00 1.66917 0.21
1 0 3 1 o 1756.191 1455.684 180.00 1.66540 0.59
0 3 3 2 o 254.522 215.251 0.00 1.66917 0.10
1 0 3 2 o 1593.378 1455.684 180.00 1.66540 0.27
3 5 0 1 o 366.081 344.581 0.00 1.66032 0.33
3 5 0 2 o 400.236 344.581 0.00 1.66032 0.18
1 1 3 1 o 4073.516 3482.804 0.00 1.65536 2.72
1 1 3 2 o 3880.815 3482.804 0.00 1.65536 1.29
3 0 -2 1 o 6144.144 6464.451 180.00 1.64622 5.32
3 0 -2 2 o 6238.597 6464.451 180.00 1.64622 2.69
2 7 1 1 o 5.556 5.580 180.00 1.64032 0.00
3 4 1 1 o 234.258 233.698 0.00 1.64010 0.18
3 1 -2 1 o 1181.752 1052.648 180.00 1.63651 1.97
2 7 1 2 o 6.234 5.580 180.00 1.64032 0.00
3 4 1 2 o 264.931 233.698 0.00 1.64010 0.10
1 3 -3 1 o 1702.417 1489.247 0.00 1.63511 1.88
3 1 -2 2 o 1250.494 1052.648 180.00 1.63651 1.04
1 3 -3 2 o 1796.219 1489.247 0.00 1.63511 0.99
1 7 -2 1 o 3275.931 2672.921 180.00 1.62986 2.32
1 2 3 1 o 232.920 186.362 180.00 1.62628 0.15
1 7 -2 2 o 3343.942 2672.921 180.00 1.62986 1.18
1 2 3 2 o 223.540 186.362 180.00 1.62628 0.07
2 5 2 1 o 328.017 255.862 180.00 1.61906 0.21
2 5 2 2 o 370.952 255.862 180.00 1.61906 0.12
1 9 0 1 o 405.963 288.984 180.00 1.61463 0.24
3 5 -1 1 o 85.503 70.403 180.00 1.61114 0.10
1 9 0 2 o 336.016 288.984 180.00 1.61463 0.10
3 2 -2 1 o 124.011 118.279 180.00 1.60840 0.19
3 5 -1 2 o 69.908 70.403 180.00 1.61114 0.04
3 2 -2 2 o 116.438 118.279 180.00 1.60840 0.09
0 4 3 1 o 2337.221 2106.371 180.00 1.60202 1.73
0 9 1 1 o 22.183 19.009 0.00 1.59933 0.01
0 4 3 2 o 2290.363 2106.371 180.00 1.60202 0.84
0 9 1 2 o 18.722 19.009 0.00 1.59933 0.01
2 8 0 1 o 990.463 1012.002 180.00 1.59450 0.60
1 7 2 1 o 1680.811 1732.834 180.00 1.59357 0.96
2 6 -2 1 o 3104.212 3254.293 0.00 1.59097 2.82
2 8 0 2 o 962.915 1012.002 180.00 1.59450 0.29
1 7 2 2 o 1622.933 1732.834 180.00 1.59357 0.46
2 6 -2 2 o 2856.055 3254.293 0.00 1.59097 1.29
1 3 3 1 o 1165.657 1030.408 0.00 1.58105 0.67
1 3 3 2 o 1155.321 1030.408 0.00 1.58105 0.33
1 4 -3 1 o 910.345 1023.014 180.00 1.57184 0.84
2 0 -3 1 o 1021.300 1173.785 180.00 1.56965 0.72
1 4 -3 2 o 872.728 1023.014 180.00 1.57184 0.40
2 0 -3 2 o 985.440 1173.785 180.00 1.56965 0.34
3 3 -2 1 o 213.375 251.685 180.00 1.56461 0.26
2 1 -3 1 o 673.313 754.036 0.00 1.56123 0.92
3 3 -2 2 o 229.350 251.685 180.00 1.56461 0.14
3 6 0 1 o 40.051 43.986 0.00 1.55978 0.03
3 5 1 1 o 466.958 517.855 0.00 1.55935 0.32
2 1 -3 2 o 662.700 754.036 0.00 1.56123 0.45
3 6 0 2 o 38.213 43.986 0.00 1.55978 0.01
3 5 1 2 o 440.124 517.855 0.00 1.55935 0.15
1 9 -1 1 o 72.107 95.281 180.00 1.55280 0.04
1 9 -1 2 o 68.671 95.281 180.00 1.55280 0.02
2 8 -1 1 o 1383.481 1423.937 180.00 1.54277 0.84
3 0 2 1 o 130.383 131.158 0.00 1.54115 0.04
2 8 -1 2 o 1421.315 1423.937 180.00 1.54277 0.43
0 8 2 1 o 999.385 992.272 0.00 1.53787 0.54
3 0 2 2 o 133.357 131.158 0.00 1.54115 0.02
1 9 1 1 o 627.075 610.130 180.00 1.53682 0.35
2 2 -3 1 o 81.309 78.468 180.00 1.53677 0.11
0 8 2 2 o 1107.485 992.272 0.00 1.53787 0.30
3 1 2 1 o 1382.664 1219.663 180.00 1.53318 0.83
1 9 1 2 o 697.156 610.130 180.00 1.53682 0.19
2 2 -3 2 o 87.849 78.468 180.00 1.53677 0.06
3 1 2 2 o 1248.866 1219.663 180.00 1.53318 0.37
0 5 3 1 o 106.199 99.781 180.00 1.52652 0.07
2 6 2 1 o 1105.723 999.809 0.00 1.52542 0.60
1 4 3 1 o 445.672 383.861 0.00 1.52364 0.24
0 5 3 2 o 118.086 99.781 180.00 1.52652 0.04
2 6 2 2 o 1198.115 999.809 0.00 1.52542 0.33
1 4 3 2 o 445.942 383.861 0.00 1.52364 0.12
3 6 -1 1 o 544.829 478.789 0.00 1.51879 0.44
3 6 -1 2 o 471.707 478.789 0.00 1.51879 0.19
2 8 1 1 o 930.671 978.005 180.00 1.51188 0.51
3 2 2 1 o 71.215 72.264 180.00 1.51000 0.04
0 10 0 1 o 133.751 133.784 0.00 1.50955 0.03
3 4 -2 1 o 696.709 675.114 0.00 1.50891 0.77
2 8 1 2 o 1044.406 978.005 180.00 1.51188 0.29
3 2 2 2 o 83.238 72.264 180.00 1.51000 0.03
0 10 0 2 o 151.962 133.784 0.00 1.50955 0.02
3 4 -2 2 o 773.448 675.114 0.00 1.50891 0.43
1 8 -2 1 o 245.760 220.154 0.00 1.50368 0.14
1 5 -3 1 o 21.310 20.010 180.00 1.50034 0.02
1 8 -2 2 o 233.568 220.154 0.00 1.50368 0.06
2 3 -3 1 o 1811.076 1632.348 0.00 1.49844 2.09
1 5 -3 2 o 22.814 20.010 180.00 1.50034 0.01
2 3 -3 2 o 1890.649 1632.348 0.00 1.49844 1.09
4 0 0 1 o 849.483 807.261 0.00 1.49094 0.39
4 0 0 2 o 792.956 807.261 0.00 1.49094 0.18
2 7 -2 1 o 1458.958 1487.548 180.00 1.48721 1.02
4 1 0 1 o 590.615 601.117 180.00 1.48372 0.55
2 7 -2 2 o 1462.757 1487.548 180.00 1.48721 0.51
4 1 0 2 o 658.664 601.117 180.00 1.48372 0.31
2 0 3 1 o 2265.687 1850.242 180.00 1.47779 0.54
3 6 1 1 o 100.806 77.795 0.00 1.47518 0.06
1 8 2 1 o 193.149 147.874 180.00 1.47504 0.10
2 0 3 2 o 2368.820 1850.242 180.00 1.47779 0.28
3 3 2 1 o 3202.836 2488.552 180.00 1.47358 1.78
3 6 1 2 o 94.584 77.795 0.00 1.47518 0.03
1 8 2 2 o 179.782 147.874 180.00 1.47504 0.05
2 1 3 1 o 204.873 173.365 180.00 1.47076 0.10
3 3 2 2 o 2848.877 2488.552 180.00 1.47358 0.78
2 1 3 2 o 171.001 173.365 180.00 1.47076 0.04
1 10 0 1 o 1.706 2.005 0.00 1.46340 0.00
4 2 0 1 o 15.495 18.423 0.00 1.46268 0.01
2 9 0 1 o 47.281 58.003 0.00 1.46188 0.03
4 0 -1 1 o 1075.036 1285.463 0.00 1.46175 0.60
3 7 0 1 o 491.533 581.865 0.00 1.46164 0.28
1 10 0 2 o 1.780 2.005 0.00 1.46340 0.00
4 2 0 2 o 16.407 18.423 0.00 1.46268 0.01
2 9 0 2 o 51.575 58.003 0.00 1.46188 0.01
1 5 3 1 o 85.045 94.472 180.00 1.45825 0.04
4 0 -1 2 o 1161.603 1285.463 0.00 1.46175 0.32
3 7 0 2 o 529.465 581.865 0.00 1.46164 0.15
4 1 -1 1 o 255.824 264.967 180.00 1.45494 0.27
1 5 3 2 o 91.784 94.472 180.00 1.45825 0.02
0 10 1 1 o 4013.950 3938.218 0.00 1.45197 1.93
4 1 -1 2 o 270.217 264.967 180.00 1.45494 0.14
2 2 3 1 o 152.103 148.751 180.00 1.45026 0.07
2 4 -3 1 o 1284.833 1255.350 0.00 1.44929 1.28
0 10 1 2 o 4042.959 3938.218 0.00 1.45197 0.97
0 6 3 1 o 560.913 554.041 180.00 1.44729 0.31
2 2 3 2 o 149.530 148.751 180.00 1.45026 0.03
2 4 -3 2 o 1242.439 1255.350 0.00 1.44929 0.62
3 5 -2 1 o 320.044 325.659 0.00 1.44532 0.31
0 6 3 2 o 531.719 554.041 180.00 1.44729 0.14
3 5 -2 2 o 306.001 325.659 0.00 1.44532 0.15
4 2 -1 1 o 176.506 213.532 0.00 1.43508 0.19
2 7 2 1 o 69.508 85.984 0.00 1.43325 0.03
4 2 -1 2 o 188.905 213.532 0.00 1.43508 0.10
2 7 2 2 o 86.842 85.984 0.00 1.43325 0.02
4 3 0 1 o 1255.989 1239.753 180.00 1.42951 1.02
3 7 -1 1 o 2848.048 2658.046 0.00 1.42775 1.87
3 4 2 1 o 3.160 2.922 0.00 1.42677 0.00
4 3 0 2 o 1341.660 1239.753 180.00 1.42951 0.54
1 6 -3 1 o 601.744 560.390 180.00 1.42492 0.40
3 7 -1 2 o 2836.935 2658.046 0.00 1.42775 0.93
3 4 2 2 o 3.075 2.922 0.00 1.42677 0.00
2 9 -1 1 o 0.015 0.006 0.00 1.42170 0.00
1 6 -3 2 o 583.362 560.390 180.00 1.42492 0.19
2 9 -1 2 o 0.020 0.006 0.00 1.42170 0.00
2 3 3 1 o 315.382 292.516 180.00 1.41791 0.14
0 9 2 1 o 52.150 48.381 180.00 1.41787 0.02
1 10 -1 1 o 758.981 678.778 0.00 1.41689 0.35
2 3 3 2 o 335.016 292.516 180.00 1.41791 0.08
0 9 2 2 o 55.511 48.381 180.00 1.41787 0.01
1 10 -1 2 o 781.898 678.778 0.00 1.41689 0.18
4 0 1 1 o 3968.127 3601.299 0.00 1.41042 1.34
4 0 1 2 o 3467.956 3601.299 0.00 1.41042 0.58
1 10 1 1 o 4.385 4.435 180.00 1.40472 0.00
4 1 1 1 o 140.999 144.174 180.00 1.40430 0.09
4 3 -1 1 o 1181.877 1232.451 180.00 1.40372 1.12
1 10 1 2 o 3.652 4.435 180.00 1.40472 0.00
4 1 1 2 o 115.011 144.174 180.00 1.40430 0.04
4 3 -1 2 o 948.092 1232.451 180.00 1.40372 0.44
2 9 1 1 o 39.956 57.232 180.00 1.39742 0.02
2 9 1 2 o 42.829 57.232 180.00 1.39742 0.01
2 5 -3 1 o 92.221 112.428 180.00 1.39267 0.08
3 7 1 1 o 4151.504 4724.884 0.00 1.39134 2.14
1 9 -2 1 o 10.666 11.820 180.00 1.39094 0.00
2 8 -2 1 o 522.627 567.640 180.00 1.38950 0.29
2 5 -3 2 o 103.844 112.428 180.00 1.39267 0.04
1 6 3 1 o 93.171 99.587 0.00 1.38872 0.04
3 7 1 2 o 4483.613 4724.884 0.00 1.39134 1.15
1 9 -2 2 o 11.331 11.820 180.00 1.39094 0.00
4 4 0 1 o 1396.485 1463.839 180.00 1.38665 1.00
4 2 1 1 o 93.656 97.946 0.00 1.38642 0.06
2 8 -2 2 o 539.726 567.640 180.00 1.38950 0.15
1 6 3 2 o 93.814 99.587 0.00 1.38872 0.02
4 4 0 2 o 1321.077 1463.839 180.00 1.38665 0.47
4 2 1 2 o 87.887 97.946 0.00 1.38642 0.03
3 6 -2 1 o 1181.693 1021.347 0.00 1.37753 0.93
2 4 3 1 o 1746.450 1401.910 0.00 1.37605 0.74
3 6 -2 2 o 1287.573 1021.347 0.00 1.37753 0.51
3 5 2 1 o 87.490 72.676 0.00 1.37265 0.04
2 4 3 2 o 1681.993 1401.910 0.00 1.37605 0.35
3 5 2 2 o 77.003 72.676 0.00 1.37265 0.02
3 0 -3 1 o 917.710 865.131 180.00 1.36916 0.53
3 8 0 1 o 89.257 84.517 180.00 1.36857 0.04
1 9 2 1 o 94.167 89.280 180.00 1.36818 0.04
0 7 3 1 o 2344.183 2238.377 180.00 1.36787 1.15
3 0 -3 2 o 868.858 865.131 180.00 1.36916 0.25
3 8 0 2 o 83.908 84.517 180.00 1.36857 0.02
1 9 2 2 o 88.021 89.280 180.00 1.36818 0.02
0 7 3 2 o 2183.727 2238.377 180.00 1.36787 0.53
3 1 -3 1 o 189.217 198.657 180.00 1.36356 0.21
4 4 -1 1 o 1342.726 1440.421 180.00 1.36307 1.13
3 1 -3 2 o 153.529 198.657 180.00 1.36356 0.09
4 4 -1 2 o 1039.903 1440.421 180.00 1.36307 0.43
4 3 1 1 o 37.566 66.180 180.00 1.35808 0.02
4 3 1 2 o 17.332 66.180 180.00 1.35808 0.00
1 7 -3 1 o 2135.791 2528.104 180.00 1.34893 1.19
3 2 -3 1 o 10.013 10.157 180.00 1.34717 0.01
2 10 0 1 o 2075.888 2074.900 180.00 1.34680 0.88
1 7 -3 2 o 2551.091 2528.104 180.00 1.34893 0.71