Crystallography Open Database

Information card for entry 7704113

Preview

Coordinates	7704113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Li8 O28 P8 Pb3
Calculated formula	Ba Li8 O28 P8 Pb3
Title of publication	Three diphosphates, α-Li<sub>2</sub>Na<sub>2</sub>P<sub>2</sub>O<sub>7</sub>, Li<sub>8</sub>Pb<sub>3</sub>Ba(P<sub>2</sub>O<sub>7</sub>)<sub>4</sub> and Li<sub>7</sub>Rb(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: influences of co-substitution on the crystal structure.
Authors of publication	Wen, Ming; Hu, Cong; Wu, Hongping; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	20
Pages of publication	6744 - 6750
a	25.65 ± 0.004 Å
b	9.9763 ± 0.0013 Å
c	9.9245 ± 0.0013 Å
α	90°
β	109.709 ± 0.003°
γ	90°
Cell volume	2390.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
252789 (current)	2020-06-05	cif/ Updating files of 7704111, 7704112, 7704113 Original log message: Adding full bibliography for 7704111--7704113.cif.	7704113.cif
250876	2020-04-17	cif/ Adding structures of 7704111, 7704112, 7704113 via cif-deposit CGI script.	7704113.cif