Materials Data on MoO3 by Materials Project
Abstract
MoO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two MoO3 sheets oriented in the (0, 0, 1) direction. Mo6+ is bonded to five O2- atoms to form corner-sharing MoO5 trigonal bipyramids. There is two shorter (1.78 Å) and three longer (2.04 Å) Mo–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Mo6+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-11096
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; MoO3; Mo-O
- OSTI Identifier:
- 1318103
- DOI:
- https://doi.org/10.17188/1318103
Citation Formats
The Materials Project. Materials Data on MoO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318103.
The Materials Project. Materials Data on MoO3 by Materials Project. United States. doi:https://doi.org/10.17188/1318103
The Materials Project. 2020.
"Materials Data on MoO3 by Materials Project". United States. doi:https://doi.org/10.17188/1318103. https://www.osti.gov/servlets/purl/1318103. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1318103,
title = {Materials Data on MoO3 by Materials Project},
author = {The Materials Project},
abstractNote = {MoO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two MoO3 sheets oriented in the (0, 0, 1) direction. Mo6+ is bonded to five O2- atoms to form corner-sharing MoO5 trigonal bipyramids. There is two shorter (1.78 Å) and three longer (2.04 Å) Mo–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Mo6+ atoms.},
doi = {10.17188/1318103},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}
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