Crystallography Open Database

Information card for entry 7250079

Preview

Coordinates	7250079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Mg4 Na O12 V3
Calculated formula	Mg4 Na O12 V3
Title of publication	Exploring quaternary vanadates containing alkali metals, alkaline earth metals, and [VO4] in the quest for nonlinear optical materials
Authors of publication	Wang, Xiaoming; Feng, Qiuyuan; Hou, Ketian; Wei, Wei; Lu, Juanjuan; Wei, Lai; Zhang, Feng
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	14
Pages of publication	2101 - 2107
a	6.8778 ± 0.0003 Å
b	6.8778 ± 0.0003 Å
c	19.2548 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	910.83 ± 0.08 Å³
Cell temperature	287 K
Ambient diffraction temperature	287 K
Number of distinct elements	4
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0194
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0438
Weighted residual factors for all reflections included in the refinement	0.0446
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
298849 (current)	2025-04-05	cif/ Updating files of 7250079, 7250080 Original log message: Adding full bibliography for 7250079--7250080.cif.	7250079.cif
298294	2025-03-06	cif/ Adding structures of 7250079 via cif-deposit CGI script.	7250079.cif