Crystallography Open Database

Information card for entry 1514004

Preview

Coordinates	1514004.cif

Structure parameters

Chemical name	Lithium Manganese Oxide (0.96/2.04/4)
Formula	Li0.956 Mn2.044 O4
Calculated formula	Li0.956 Mn2.044 O4
Title of publication	Relationship of crystal structure to interionic interactions in the lithium-manganese spinel oxides
Authors of publication	Piszora, P.; Catlow, C. R. A.; Woodley, S. M.; Wolska, E.
Journal of publication	Computers and Chemistry
Year of publication	2000
Journal volume	24
Pages of publication	609 - 613
a	8.2579 ± 0.0003 Å
b	8.2579 ± 0.0003 Å
c	8.2579 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	563.13 ± 0.04 Å³
Number of distinct elements	3
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :1
Hall space group symbol	F 4d 2 3 -1d
Residual factor for all reflections	0.047
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176808 (current)	2016-02-21	cif/1/ (antanas@kurmis) Updating the values of the '_citation_journal_id_ASTM' data item for multiple entries in range 1. The tag values contained the full citation information (sometimes for multiple citation sources) instead of only the CODEN code. The data item was either split into corresponding data items and placed in a loop or removed (if the citation corresponded to the original publication that was already defined with the _publ_* and _journal_* tags). The bibliography was also updated for some entries.	1514004.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514004.cif
108040	2014-03-26	cif/ Adding structures of 1514004 via cif-deposit CGI script.	1514004.cif