Crystallography Open Database

Information card for entry 1570998

Preview

Coordinates	1570998.cif
Original paper (by DOI)	HTML

Structure parameters

Mineral name	?Structure?
Formula	C4 H7 Al3 F N2 O12 P3
Calculated formula	C4 H7 Al3 F N2 O12 P3
Title of publication	Site-directed cation ordering in chabazite-type Al<sub><i>x</i></sub>Ga<sub>1-<i>x</i></sub>PO<sub>4</sub>-34 frameworks revealed by NMR crystallography.
Authors of publication	Dawson, Daniel M.; Clayton, Jasmine A.; Marshall, Thomas H. D.; Guillou, Nathalie; Walton, Richard I.; Ashbrook, Sharon E.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	12
Pages of publication	4374 - 4385
a	9.30794 ± 0.00007 Å
b	9.15665 ± 0.00007 Å
c	9.15459 ± 0.00009 Å
α	88.9517 ± 0.0007°
β	102.148 ± 0.0007°
γ	93.1108 ± 0.0007°
Cell volume	761.626 ± 0.011 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor R(I) for significantly intense reflections	0.046
Goodness-of-fit parameter for all reflections	5.66
Method of determination	powder diffraction
Diffraction radiation wavelength	0.826855 Å
Diffraction radiation type	X-raysynchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290868 (current)	2024-04-05	cif/ Updating files of 1570998 Original log message: Adding full bibliography for 1570998.cif.	1570998.cif
289818	2024-02-15	cif/ Adding structures of 1570998 via cif-deposit CGI script.	1570998.cif