U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YMoO3 by Materials Project
Abstract
YMoO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.90 Å. Mo3+ is bonded to six O2- atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 42–46°. There are a spread of Mo–O bond distances ranging from 2.15–2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Y3+ and two equivalent Mo3+ atoms. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Mo3+ atoms to form distorted corner-sharing OY2Mo2 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mvc-14154
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Mo-O-Y; YMoO3; crystal structure
- OSTI Identifier:
- 1319052
- DOI:
- https://doi.org/10.17188/1319052
Citation Formats
Materials Data on YMoO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1319052.
Materials Data on YMoO3 by Materials Project. United States. doi:https://doi.org/10.17188/1319052
2020.
"Materials Data on YMoO3 by Materials Project". United States. doi:https://doi.org/10.17188/1319052. https://www.osti.gov/servlets/purl/1319052. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1319052,
title = {Materials Data on YMoO3 by Materials Project},
abstractNote = {YMoO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.90 Å. Mo3+ is bonded to six O2- atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 42–46°. There are a spread of Mo–O bond distances ranging from 2.15–2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Y3+ and two equivalent Mo3+ atoms. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Mo3+ atoms to form distorted corner-sharing OY2Mo2 trigonal pyramids.},
doi = {10.17188/1319052},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}