Crystallography Open Database

Information card for entry 7717811

Preview

Coordinates	7717811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F0.5 Mn1.5 Na5.5 O14 P4
Calculated formula	F0.5 Mn1.5 Na5.5 O14 P4
Title of publication	Open frameworks in the Na<sub><i>x</i></sub>Mn<sub><i>y</i></sub>(P<sub>2</sub>O<sub>7</sub>)<sub><i>m</i></sub>F<sub><i>n</i></sub> fluoro-pyrophosphates system.
Authors of publication	Li, Feifan; Li, Yaping; Duffort, Victor; Mentré, Olivier; Minaud, Claire; Huang, Qingqing; Cheng, Xiedong; Cui, Rui; Lü, Minfeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	7
Pages of publication	2974 - 2984
a	8.0988 ± 0.0002 Å
b	9.4558 ± 0.0002 Å
c	9.5158 ± 0.0002 Å
α	65.5 ± 0.002°
β	84.514 ± 0.002°
γ	72.817 ± 0.002°
Cell volume	633.21 ± 0.03 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0928
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.0659
Goodness-of-fit parameter for significantly intense reflections	2.54
Goodness-of-fit parameter for all reflections included in the refinement	2.19
Diffraction radiation probe	x-ray
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
298907 (current)	2025-04-05	cif/ Updating files of 7717811, 7717812, 7717813 Original log message: Adding full bibliography for 7717811--7717813.cif.	7717811.cif
297339	2025-01-16	cif/ Adding structures of 7717811, 7717812, 7717813 via cif-deposit CGI script.	7717811.cif