Crystallography Open Database

Information card for entry 4003658

Preview

Coordinates	4003658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	La41.44 Mo7.56 O85.12
Calculated formula	La41.4436 Mo7.55644 O85.1211
Title of publication	Unravelling Crystal Superstructures and Transformations in the La6‒xMoO12−δ (0.6 ≤ x ≤ 3.0) Series: A System with Tailored Ionic/Electronic Conductivity
Authors of publication	López-Vergara, Adrián; Vizcaíno-Anaya, Lucía; Porras-Vázquez, José M.; Baldinozzi, Gianguido; Santos-Gómez, Lucía dos; Canales-Vazquez, Jesús; Marrero-López, David; Losilla, Enrique R.
Journal of publication	Chemistry of Materials
Year of publication	2020
Journal volume	32
Journal issue	16
Pages of publication	7052 - 7062
a	27.953 ± 0.004 Å
b	27.953 Å
c	9.9004 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	6699.5 ± 1.6 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
RFsqd	0.04363
Goodness-of-fit parameter for all reflections	3.18
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Diffraction radiation wavelength	1.1545 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257102 (current)	2020-10-04	cif/ Updating files of 4003658, 4003659 Original log message: Adding full bibliography for 4003658--4003659.cif.	4003658.cif
255867	2020-09-04	cif/ Updating files of 4003658, 4003659 Original log message: Adding full bibliography for 4003658--4003659.cif.	4003658.cif
255217	2020-08-11	cif/ Adding structures of 4003658 via cif-deposit CGI script.	4003658.cif