Crystallography Open Database

Information card for entry 1565829

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Coordinates	1565829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K2 Mg2 O12 S3
Calculated formula	K2 Mg2 O12 S3
Title of publication	Tracing electron density changes in langbeinite under pressure
Authors of publication	Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof
Journal of publication	IUCrJ
Year of publication	2022
Journal volume	9
Journal issue	1
Pages of publication	146 - 162
a	9.91977 ± 0.00003 Å
b	9.91977 ± 0.00003 Å
c	9.91977 ± 0.00003 Å
α	90°
β	90°
γ	90°
Cell volume	976.124 ± 0.005 Å³
Cell temperature	297.2 ± 0.6 K
Ambient diffraction temperature	297.2 ± 0.6 K
Number of distinct elements	4
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.02
Residual factor for significantly intense reflections	0.018
Weighted residual factors for all reflections included in the refinement	0.048
RFsqd	0.019
Goodness-of-fit parameter for all reflections included in the refinement	1.238
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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