Materials Data on LaMoO5 by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1665394· OSTI ID:1665394

LaMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.37–2.65 Å. Mo is bonded in a tetrahedral geometry to four O atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.85 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent La and one O atom. The O–O bond length is 1.51 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent La and one Mo atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent La and one Mo atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one Mo atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one Mo atom.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1665394
• Report Number(s): mp-1211854
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
La-Mo-O
LaMoO5
crystal structure