Crystallography Open Database

Information card for entry 7232187

Preview

Coordinates	7232187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca8.649 O28 Pb1.851 V7
Calculated formula	Ca8.6491 O28 Pb1.851 V7
Title of publication	Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9
Authors of publication	Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	8
Pages of publication	1309
a	10.922 ± 0.0002 Å
b	10.922 ± 0.0002 Å
c	38.3133 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	3958.08 ± 0.14 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.0368
Weighted residual factors for all reflections included in the refinement	0.0455
Goodness-of-fit parameter for significantly intense reflections	1.04
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223525 (current)	2019-11-07	cif/ Updating files of 7232185, 7232186, 7232187 Original log message: Adding full bibliography for 7232185--7232187.cif.	7232187.cif
213172	2019-01-17	cif/ Adding structures of 7232185, 7232186, 7232187 via cif-deposit CGI script.	7232187.cif