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Title: Materials Data on MnPO7 by Materials Project

Abstract

MnPO7 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two MnPO7 sheets oriented in the (0, 0, 1) direction. Mn is bonded to five O atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent PO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.74–2.26 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent MnO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.52–1.61 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Mn and one P atom. In the second O site, O is bonded in a single-bond geometry to one P and one O atom. The O–O bond length is 1.75 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Mn and one O atom. The O–O bond length is 1.25 Å. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Mn and one P atom. In the fifth O site, O is bondedmore » in a single-bond geometry to one Mn atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Mn and one P atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1212571
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; MnPO7; Mn-O-P
OSTI Identifier:
1748470
DOI:
https://doi.org/10.17188/1748470

Citation Formats

The Materials Project. Materials Data on MnPO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748470.
The Materials Project. Materials Data on MnPO7 by Materials Project. United States. doi:https://doi.org/10.17188/1748470
The Materials Project. 2020. "Materials Data on MnPO7 by Materials Project". United States. doi:https://doi.org/10.17188/1748470. https://www.osti.gov/servlets/purl/1748470. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1748470,
title = {Materials Data on MnPO7 by Materials Project},
author = {The Materials Project},
abstractNote = {MnPO7 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two MnPO7 sheets oriented in the (0, 0, 1) direction. Mn is bonded to five O atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent PO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.74–2.26 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent MnO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.52–1.61 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Mn and one P atom. In the second O site, O is bonded in a single-bond geometry to one P and one O atom. The O–O bond length is 1.75 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Mn and one O atom. The O–O bond length is 1.25 Å. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Mn and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one Mn atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Mn and one P atom.},
doi = {10.17188/1748470},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}