Crystallography Open Database

Information card for entry 3000291

Preview

Coordinates	3000291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al0.804 Ge1.196 Na1.72 O12 P3
Calculated formula	Al0.804 Ge1.196 Na1.723 O11.9998 P2.99994
Title of publication	Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2−x(PO4)3
Authors of publication	Gammond, Lawrence V. D.; Auer, Henry; Mendes Da Silva, Rita; Zeidler, Anita; Ortiz-Mosquera, Jairo F.; Nieto-Muñoz, Adriana M.; Rodrigues, Ana Candida M.; dAnciães Almeida Silva, Igor; Eckert, Hellmut; Benmore, Chris J.; Salmon, Philip S.
Journal of publication	The Journal of Chemical Physics
Year of publication	2021
Journal volume	155
Journal issue	7
Pages of publication	074501
a	8.2927 ± 0.0003 Å
b	8.2927 ± 0.0003 Å
c	21.4139 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	1275.32 ± 0.1 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor R(I) for significantly intense reflections	5.6265
Goodness-of-fit parameter for all reflections	1.6
Method of determination	powder diffraction
Diffraction radiation wavelength	1.7982 Å
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268136 (current)	2021-08-19	cif/ Updating files of 3000291 Original log message: Releasing structure 3000291 into public domain as published material.	3000291.cif
261338	2021-01-31	cif/ Adding structures of 3000291 via cif-deposit CGI script.	3000291.cif