Crystallography Open Database

Information card for entry 4002709

Preview

Coordinates	4002709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Mg4 O21 P6 Rb4
Calculated formula	Mg4 O21 P6 Rb4
Title of publication	M4Mg4(P2O7)3 (M = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications
Authors of publication	Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv
Journal of publication	Chemistry of Materials
Year of publication	2017
Journal volume	29
Journal issue	4
Pages of publication	1845
a	5.2878 ± 0.0003 Å
b	21.1901 ± 0.0012 Å
c	9.6973 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1086.57 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	38
Hermann-Mauguin space group symbol	A m m 2
Hall space group symbol	A 2 -2
Residual factor for all reflections	0.0179
Residual factor for significantly intense reflections	0.0174
Weighted residual factors for significantly intense reflections	0.0398
Weighted residual factors for all reflections included in the refinement	0.04
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
193404 (current)	2017-03-04	cif/ Updating files of 4002709 Original log message: Adding full bibliography for 4002709.cif.	4002709.cif
192031	2017-02-14	cif/ Adding structures of 4002709 via cif-deposit CGI script.	4002709.cif