Crystallography Open Database

Information card for entry 7126740

Preview

Coordinates	7126740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Be4 Li O24 P7 Rb4
Calculated formula	Be4 Li O24 P7 Rb4
Title of publication	M<sub>4</sub>LiBe<sub>4</sub>P<sub>7</sub>O<sub>24</sub> and M<sub>4</sub>Li(Li<sub>3</sub>P)P<sub>7</sub>O<sub>24</sub> (M = Cs, Rb): deep-ultraviolet nonlinear-optical phosphates with a tetrahedra-substituted paracelsian-like framework.
Authors of publication	Chen, Yi-Gang; Yang, Chunyu; Wang, Fang; Guo, Yao; Jiang, Xingxing; Zhang, Xian-Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	61
Pages of publication	8639 - 8642
a	12.8805 ± 0.0004 Å
b	12.9118 ± 0.0004 Å
c	12.9447 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2152.84 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	17
Hermann-Mauguin space group symbol	P 2 2 21
Hall space group symbol	P 2c 2
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.0524
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
254927 (current)	2020-08-06	cif/ Updating files of 7126739, 7126740 Original log message: Adding full bibliography for 7126739--7126740.cif.	7126740.cif
253296	2020-06-21	cif/ Adding structures of 7126739, 7126740 via cif-deposit CGI script.	7126740.cif