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Title: Materials Data on MnPO4 by Materials Project

Abstract

MnPO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn3+ is bonded to five O2- atoms to form distorted MnO5 square pyramids that share corners with three equivalent PO4 tetrahedra, an edgeedge with one MnO5 square pyramid, and an edgeedge with one PO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.91–2.19 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent MnO5 square pyramids and an edgeedge with one MnO5 square pyramid. There are a spread of P–O bond distances ranging from 1.53–1.61 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn3+ and one P5+ atom. In the second O2- site, O2- is bonded in an L-shaped geometry to one Mn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Mn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn3+ and one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-540146
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:
1263736
DOI:
https://doi.org/10.17188/1263736

Citation Formats

The Materials Project. Materials Data on MnPO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263736.
The Materials Project. Materials Data on MnPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1263736
The Materials Project. 2020. "Materials Data on MnPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1263736. https://www.osti.gov/servlets/purl/1263736. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1263736,
title = {Materials Data on MnPO4 by Materials Project},
author = {The Materials Project},
abstractNote = {MnPO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn3+ is bonded to five O2- atoms to form distorted MnO5 square pyramids that share corners with three equivalent PO4 tetrahedra, an edgeedge with one MnO5 square pyramid, and an edgeedge with one PO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.91–2.19 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent MnO5 square pyramids and an edgeedge with one MnO5 square pyramid. There are a spread of P–O bond distances ranging from 1.53–1.61 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn3+ and one P5+ atom. In the second O2- site, O2- is bonded in an L-shaped geometry to one Mn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Mn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn3+ and one P5+ atom.},
doi = {10.17188/1263736},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}