Crystallography Open Database

Information card for entry 7703061

Preview

Coordinates	7703061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B7 Ba Cs O12
Calculated formula	B7 Ba Cs O12
Title of publication	Effect of anion dimensionality on optical properties: the <sub>\ιnfty </sub>[B<sub>7</sub>O<sub>10</sub>(OH)<sub>2</sub>] layer in CsB<sub>7</sub>O<sub>10</sub>(OH)<sub>2</sub>vs. the <sub>\ιnfty </sub>[B<sub>7</sub>O<sub>12</sub>] framework in CsBaB<sub>7</sub>O<sub>12</sub>.
Authors of publication	Miao, Zhaohong; Yang, Yun; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	4
Pages of publication	1292 - 1299
a	10.6012 ± 0.0004 Å
b	8.6819 ± 0.0004 Å
c	12.6458 ± 0.0005 Å
α	90°
β	112.502 ± 0.002°
γ	90°
Cell volume	1075.29 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0529
Weighted residual factors for all reflections included in the refinement	0.0584
Goodness-of-fit parameter for all reflections included in the refinement	1.0058
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
247715 (current)	2020-02-04	cif/ Updating files of 7703061, 7703062 Original log message: Adding full bibliography for 7703061--7703062.cif.	7703061.cif
246318	2019-12-31	cif/ Adding structures of 7703061, 7703062 via cif-deposit CGI script.	7703061.cif