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Title: Materials Data on MnPO4 by Materials Project

Abstract

MnPO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent PO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.89–2.28 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 45–56°. There are a spread of P–O bond distances ranging from 1.53–1.60 Å. There are three 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 1-coordinate geometry to two equivalent Mn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mn3+ and one P5+ atom.

Publication Date:
Other Number(s):
mp-777460
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; MnPO4; Mn-O-P
OSTI Identifier:
1305094
DOI:
10.17188/1305094

Citation Formats

The Materials Project. Materials Data on MnPO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305094.
The Materials Project. Materials Data on MnPO4 by Materials Project. United States. doi:10.17188/1305094.
The Materials Project. 2020. "Materials Data on MnPO4 by Materials Project". United States. doi:10.17188/1305094. https://www.osti.gov/servlets/purl/1305094. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1305094,
title = {Materials Data on MnPO4 by Materials Project},
author = {The Materials Project},
abstractNote = {MnPO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent PO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.89–2.28 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 45–56°. There are a spread of P–O bond distances ranging from 1.53–1.60 Å. There are three 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 1-coordinate geometry to two equivalent Mn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mn3+ and one P5+ atom.},
doi = {10.17188/1305094},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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