U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnPO4 by Materials Project
Abstract
MnPO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Mn3+ is bonded to four O2- atoms to form distorted MnO4 trigonal pyramids that share corners with four equivalent PO4 tetrahedra. There is two shorter (1.90 Å) and two longer (1.92 Å) Mn–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent MnO4 trigonal pyramids. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn3+ and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-540118
- 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; MnPO4; Mn-O-P
- OSTI Identifier:
- 1263680
- DOI:
- https://doi.org/10.17188/1263680
Citation Formats
The Materials Project. Materials Data on MnPO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1263680.
The Materials Project. Materials Data on MnPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1263680
The Materials Project. 2020.
"Materials Data on MnPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1263680. https://www.osti.gov/servlets/purl/1263680. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1263680,
title = {Materials Data on MnPO4 by Materials Project},
author = {The Materials Project},
abstractNote = {MnPO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Mn3+ is bonded to four O2- atoms to form distorted MnO4 trigonal pyramids that share corners with four equivalent PO4 tetrahedra. There is two shorter (1.90 Å) and two longer (1.92 Å) Mn–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent MnO4 trigonal pyramids. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn3+ and one P5+ atom.},
doi = {10.17188/1263680},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}