Crystallography Open Database

Information card for entry 1565830

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Coordinates	1565830.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	9.9045 ± 0.00007 Å
b	9.9045 ± 0.00007 Å
c	9.9045 ± 0.00007 Å
α	90°
β	90°
γ	90°
Cell volume	971.623 ± 0.012 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.038
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.434 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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