Crystallography Open Database

Information card for entry 7216467

Preview

Coordinates	7216467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba O6 Pb Si2
Calculated formula	Ba O6 Pb 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	5.5092 ± 0.0017 Å
b	15.45 ± 0.005 Å
c	7.287 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	620.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0238
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0474
Weighted residual factors for all reflections included in the refinement	0.0494
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	7216467.cif
116138	2014-06-07	cif/ Adding structures of 7216467, 7216468 via cif-deposit CGI script.	7216467.cif