Crystallography Open Database

Information card for entry 4125026

Preview

Coordinates	4125026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O14 Pb3 Te V2 Zn3
Calculated formula	O14 Pb3 Te V2 Zn3
Title of publication	Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.
Authors of publication	Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	14
Pages of publication	4984 - 4989
a	8.608 ± 0.002 Å
b	8.608 ± 0.002 Å
c	5.186 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	332.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	150
Hermann-Mauguin space group symbol	P 3 2 1
Hall space group symbol	P 3 2"
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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
182504 (current)	2016-05-04	cif/ Updating files of 4125021, 4125022, 4125023, 4125024, 4125025, 4125026 Original log message: Adding full bibliography for 4125021--4125026.cif.	4125026.cif
181813	2016-04-06	cif/ Adding structures of 4125021, 4125022, 4125023, 4125024, 4125025, 4125026 via cif-deposit CGI script.	4125026.cif