Crystallography Open Database

Information card for entry 7700040

Preview

Coordinates	7700040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs8 O28 P8 Pb4
Calculated formula	Cs8 O28 P8 Pb4
Title of publication	Three new phosphates, Cs<sub>8</sub>Pb<sub>4</sub>(P<sub>2</sub>O<sub>7</sub>)<sub>4</sub>, CsLi<sub>7</sub>(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub> and LiCa(PO<sub>3</sub>)<sub>3</sub>: structural comparison, characterization and theoretical calculation.
Authors of publication	Han, Shujuan; Li, Hao; Yang, Zhihua; Yu, H. H.; Pan, Shilie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	24
Pages of publication	8948 - 8954
a	9.5335 ± 0.001 Å
b	11.7281 ± 0.0011 Å
c	16.3626 ± 0.0018 Å
α	85.643 ± 0.006°
β	74.417 ± 0.006°
γ	79.477 ± 0.006°
Cell volume	1731.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
223790 (current)	2019-11-07	cif/ Updating files of 7700038, 7700039, 7700040 Original log message: Adding full bibliography for 7700038--7700040.cif.	7700040.cif
215381	2019-05-22	cif/ Adding structures of 7700040 via cif-deposit CGI script.	7700040.cif