Crystallography Open Database

Information card for entry 7216468

Preview

Coordinates	7216468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 O10 Pb S Si2
Calculated formula	Ba2 O10 Pb S Si2
Title of publication	BaPbSi2O6·BaSO4: the first mixed anionic compound synthesized via BaSO4 salt-inclusion
Authors of publication	Dong, Lingyun; Pan, Shilie; Wang, Ying; Yu, Hongwei; Bian, Qiang; Yang, Zhihua; Wu, Hongping; Zhang, Min
Journal of publication	CrystEngComm
Year of publication	2014
a	7.252 ± 0.0011 Å
b	5.4841 ± 0.0008 Å
c	24.352 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	968.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.044
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0566
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180495 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/64.	7216468.cif
116138	2014-06-07	cif/ Adding structures of 7216467, 7216468 via cif-deposit CGI script.	7216468.cif