U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MoPO5 by Materials Project
Abstract
MoOPO4 crystallizes in the tetragonal P4/n space group. The structure is two-dimensional and consists of one MoOPO4 sheet oriented in the (0, 0, 1) direction. Mo5+ is bonded to five O2- atoms to form distorted MoO5 trigonal bipyramids that share corners with four equivalent PO4 tetrahedra. There is one shorter (1.70 Å) and four longer (2.01 Å) Mo–O bond length. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent MoO5 trigonal bipyramids. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mo5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo5+ and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-504818
- 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; MoPO5; Mo-O-P
- OSTI Identifier:
- 1262074
- DOI:
- https://doi.org/10.17188/1262074
Citation Formats
The Materials Project. Materials Data on MoPO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262074.
The Materials Project. Materials Data on MoPO5 by Materials Project. United States. doi:https://doi.org/10.17188/1262074
The Materials Project. 2020.
"Materials Data on MoPO5 by Materials Project". United States. doi:https://doi.org/10.17188/1262074. https://www.osti.gov/servlets/purl/1262074. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1262074,
title = {Materials Data on MoPO5 by Materials Project},
author = {The Materials Project},
abstractNote = {MoOPO4 crystallizes in the tetragonal P4/n space group. The structure is two-dimensional and consists of one MoOPO4 sheet oriented in the (0, 0, 1) direction. Mo5+ is bonded to five O2- atoms to form distorted MoO5 trigonal bipyramids that share corners with four equivalent PO4 tetrahedra. There is one shorter (1.70 Å) and four longer (2.01 Å) Mo–O bond length. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent MoO5 trigonal bipyramids. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mo5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo5+ and one P5+ atom.},
doi = {10.17188/1262074},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}