Crystallography Open Database

Information card for entry 7042449

Preview

Coordinates	7042449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 Li2 O40 P12 Pb7
Calculated formula	Ba2 Li2 O40 P12 Pb7
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	7.4579 ± 0.0011 Å
b	7.8016 ± 0.0013 Å
c	15.632 ± 0.003 Å
α	80.366 ± 0.01°
β	85.329 ± 0.008°
γ	78.983 ± 0.007°
Cell volume	879 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0552
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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.	7042449.cif
194216	2017-03-14	cif/ Adding structures of 7042447, 7042448, 7042449, 7042450 via cif-deposit CGI script.	7042449.cif