Materials Data on YbMoO5 by Materials Project

Dataset · Wed Apr 29 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1746653· OSTI ID:1746653

YbMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Yb–O bond distances ranging from 2.29–2.56 Å. Mo is bonded in a distorted tetrahedral geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.38 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Yb, one Mo, and one O atom. The O–O bond length is 2.00 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Yb and one Mo atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Yb and one Mo atom. In the fourth O site, O is bonded in a linear geometry to one Yb and one Mo atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Yb 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: 1746653
• Report Number(s): mp-1207563
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Mo-O-Yb
YbMoO5
crystal structure