Crystallography Open Database

Information card for entry 7056072

Preview

Coordinates	7056072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Mg5 Na7 O28 P8
Calculated formula	Mg4.5 Na7 O28 P8
Title of publication	Structure comparison and optical properties of Na7Mg4.5(P2O7)4: a sodium magnesium phosphate with isolated P2O7 units
Authors of publication	Ma, Ruru; Yang, Yun; Pan, Shilie; Sun, Yanzhou; Yang, Zhihua
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	9
Pages of publication	3399
a	6.3932 ± 0.0007 Å
b	9.4219 ± 0.001 Å
c	10.9116 ± 0.0011 Å
α	64.711 ± 0.007°
β	80.374 ± 0.008°
γ	73.543 ± 0.007°
Cell volume	569.13 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
196495 (current)	2017-05-06	cif/ Updating files of 7056072 Original log message: Adding full bibliography for 7056072.cif.	7056072.cif
194400	2017-03-22	cif/ Adding structures of 7056072 via cif-deposit CGI script.	7056072.cif