Test Crystallography Open Database

Information card for entry 2000023

2000022 << 2000023 >> 2000024

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Coordinates	2000023.cif
Original IUCr paper	HTML

Structure parameters

Common name	tremolite
Formula	Al0.68 Ca1.99 F0.33 H1.61 K0.2 Mg5.09 O23.67 Si7.32
Calculated formula	Al0.68 Ca1.9878 F0.331 H1.609 K0.2008 Mg5.0876 O23.67 Si7.32
Title of publication	Recommended X-ray single-crystal structure refinement and Rietveld refinement procedure for tremolite
Authors of publication	Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bosi, Ferdinando
Journal of publication	Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
Year of publication	2021
Journal volume	77
Journal issue	4
Pages of publication	537 - 549
a	9.8348 ± 0.0003 Å
b	18.0035 ± 0.0006 Å
c	5.2825 ± 0.0002 Å
α	90°
β	104.996 ± 0.0008°
γ	90°
Cell volume	903.47 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0147
Residual factor for significantly intense reflections	0.0132
Weighted residual factors for significantly intense reflections	0.0309
Weighted residual factors for all reflections included in the refinement	0.0314
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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