Crystallography Open Database

Information card for entry 7042450

Preview

Coordinates	7042450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba6 Li2 O40 P12 Pb3
Calculated formula	Ba6 Li2 O40 P12 Pb3
Title of publication	Application of the dimensional reduction formalism to Pb9-xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7): a series of phosphates with two types of isolated polyphosphate groups.
Authors of publication	Zhang, Xiangyu; Wu, Hongping; Liu, Qiong; Dong, Xiaoyu; Chen, Yunlei; Yang, Zhihua; Wen, Xiao-Dong; Pan, Shilie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	14
Pages of publication	4678 - 4684
a	7.5293 ± 0.0004 Å
b	7.8246 ± 0.0004 Å
c	15.7265 ± 0.0009 Å
α	80.356 ± 0.003°
β	84.68 ± 0.003°
γ	78.446 ± 0.003°
Cell volume	893.22 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
196437 (current)	2017-05-06	cif/ Updating files of 7042447, 7042448, 7042449, 7042450 Original log message: Adding full bibliography for 7042447--7042450.cif.	7042450.cif
194216	2017-03-14	cif/ Adding structures of 7042447, 7042448, 7042449, 7042450 via cif-deposit CGI script.	7042450.cif