Crystallography Open Database

Information card for entry 2244123

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Structure parameters

Chemical name	Tribarium hexahydroxidostannate(IV) bis[selenate(VI)] trihydrate
Formula	Ba3 H12 O17 Se2 Sn
Calculated formula	Ba3 H12 O17 Se2 Sn
SMILES	O=[Se](=O)([O-])[O-].[Ba+2].O=[Se](=O)([O-])[O-].O.[Sn](O)(O)(O)(O)(O)O.O.O.[Ba+2].[Ba+2]
Title of publication	Ba~3~[Sn(OH)~6~][SeO~4~]~2~·3H~2~O, a hydrated 1:2 double salt of barium hexahydroxidostannate(IV) and barium selenate(VI)
Authors of publication	Reuter, Hans; Kamaha, Shouassi
Journal of publication	Acta Crystallographica Section E
Year of publication	2022
Journal volume	78
Journal issue	8
a	9.255 ± 0.0006 Å
b	9.255 ± 0.0006 Å
c	11.4441 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	848.92 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0081
Residual factor for significantly intense reflections	0.0081
Weighted residual factors for significantly intense reflections	0.0179
Weighted residual factors for all reflections included in the refinement	0.0179
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
276893 (current)	2022-07-23	cif/ hkl/ Adding structures of 2244123 via cif-deposit CGI script.	2244123.cif 2244123.hkl