U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaMoO2 by Materials Project
Abstract
BaMoO2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form edge-sharing BaO6 octahedra. There are four shorter (2.69 Å) and two longer (2.80 Å) Ba–O bond lengths. Mo2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.25 Å) and two longer (2.26 Å) Mo–O bond lengths. O2- is bonded to three equivalent Ba2+ and two equivalent Mo2+ atoms to form a mixture of distorted edge and corner-sharing OBa3Mo2 square pyramids.
- Publication Date:
- Other Number(s):
- mp-1214454
- 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; Ba-Mo-O; BaMoO2; crystal structure
- OSTI Identifier:
- 1718478
- DOI:
- https://doi.org/10.17188/1718478
Citation Formats
Materials Data on BaMoO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1718478.
Materials Data on BaMoO2 by Materials Project. United States. doi:https://doi.org/10.17188/1718478
2020.
"Materials Data on BaMoO2 by Materials Project". United States. doi:https://doi.org/10.17188/1718478. https://www.osti.gov/servlets/purl/1718478. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1718478,
title = {Materials Data on BaMoO2 by Materials Project},
abstractNote = {BaMoO2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form edge-sharing BaO6 octahedra. There are four shorter (2.69 Å) and two longer (2.80 Å) Ba–O bond lengths. Mo2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.25 Å) and two longer (2.26 Å) Mo–O bond lengths. O2- is bonded to three equivalent Ba2+ and two equivalent Mo2+ atoms to form a mixture of distorted edge and corner-sharing OBa3Mo2 square pyramids.},
doi = {10.17188/1718478},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.