Crystallography Open Database

Information card for entry 8107510

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Coordinates	8107510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba O4 S
Calculated formula	Ba O4 S
Title of publication	Crystal structure of baryte from Mine du Pradet (France)
Authors of publication	Paulsen, Christian; Galéa-Clolus, Valérie; Pöttgen, Rainer
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	4
Pages of publication	611 - 613
a	8.8806 ± 0.0008 Å
b	5.4539 ± 0.0005 Å
c	7.157 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	346.64 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0236
Residual factor for significantly intense reflections	0.0141
Weighted residual factors for significantly intense reflections	0.0315
Weighted residual factors for all reflections included in the refinement	0.0329
Goodness-of-fit parameter for significantly intense reflections	1.07
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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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