Crystallography Open Database

Information card for entry 2105988

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Structure parameters

Formula	Fe3.539 H4 O9 Si1.461
Calculated formula	Fe3.538 H4 O9 Si1.462
Title of publication	Refinement of cronstedtite-1<i>M</i>
Authors of publication	Hybler, Jiří
Journal of publication	Acta Crystallographica Section B
Year of publication	2014
Journal volume	70
Journal issue	6
Pages of publication	963 - 972
a	5.5033 ± 0.0003 Å
b	9.5289 ± 0.0005 Å
c	7.3328 ± 0.0005 Å
α	90°
β	104.493 ± 0.006°
γ	90°
Cell volume	372.3 ± 0.04 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	8
Hermann-Mauguin space group symbol	C 1 m 1
Hall space group symbol	C -2y
Residual factor for all reflections	0.0271
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0342
Weighted residual factors for all reflections included in the refinement	0.035
Goodness-of-fit parameter for all reflections included in the refinement	1.64
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181878 (current)	2016-04-06	hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/59.	2105988.cif 2105988.hkl
180917	2016-04-02	hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/59.	2105988.cif 2105988.hkl
176768	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2105988.cif 2105988.hkl
129275	2015-01-01	cif/ hkl/ Adding structures of 2105988 via cif-deposit CGI script.	2105988.cif 2105988.hkl