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Title: Materials Data on MnPO4 by Materials Project

Abstract

MnPO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mn3+ is bonded to five O2- atoms to form MnO5 trigonal bipyramids that share corners with five equivalent PO4 tetrahedra and an edgeedge with one MnO5 trigonal bipyramid. There are a spread of Mn–O bond distances ranging from 1.90–2.06 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with five equivalent MnO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.51–1.60 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 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 distorted bent 150 degrees geometry to one Mn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn3+ and one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-540022
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:
1263630
DOI:
https://doi.org/10.17188/1263630

Citation Formats

The Materials Project. Materials Data on MnPO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263630.
The Materials Project. Materials Data on MnPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1263630
The Materials Project. 2020. "Materials Data on MnPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1263630. https://www.osti.gov/servlets/purl/1263630. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1263630,
title = {Materials Data on MnPO4 by Materials Project},
author = {The Materials Project},
abstractNote = {MnPO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mn3+ is bonded to five O2- atoms to form MnO5 trigonal bipyramids that share corners with five equivalent PO4 tetrahedra and an edgeedge with one MnO5 trigonal bipyramid. There are a spread of Mn–O bond distances ranging from 1.90–2.06 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with five equivalent MnO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.51–1.60 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 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 distorted bent 150 degrees geometry to one Mn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn3+ and one P5+ atom.},
doi = {10.17188/1263630},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}