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Title: Materials Data on MgPO7 by Materials Project

Abstract

MgPO7 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two MgPO7 sheets oriented in the (0, 1, 0) direction. Mg is bonded in a 4-coordinate geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.93–2.65 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a linear geometry to one Mg and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.28 Å) and one longer (1.33 Å) O–O bond length. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a linear geometry to one Mg and one P atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Mg and one O atom. In the sixth O site, O is bonded in a linear geometry to one Mg and onemore » P atom. In the seventh O site, O is bonded in a water-like geometry to one Mg and one O atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1180549
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; MgPO7; Mg-O-P
OSTI Identifier:
1693156
DOI:
https://doi.org/10.17188/1693156

Citation Formats

The Materials Project. Materials Data on MgPO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1693156.
The Materials Project. Materials Data on MgPO7 by Materials Project. United States. doi:https://doi.org/10.17188/1693156
The Materials Project. 2020. "Materials Data on MgPO7 by Materials Project". United States. doi:https://doi.org/10.17188/1693156. https://www.osti.gov/servlets/purl/1693156. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1693156,
title = {Materials Data on MgPO7 by Materials Project},
author = {The Materials Project},
abstractNote = {MgPO7 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two MgPO7 sheets oriented in the (0, 1, 0) direction. Mg is bonded in a 4-coordinate geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.93–2.65 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a linear geometry to one Mg and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.28 Å) and one longer (1.33 Å) O–O bond length. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a linear geometry to one Mg and one P atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Mg and one O atom. In the sixth O site, O is bonded in a linear geometry to one Mg and one P atom. In the seventh O site, O is bonded in a water-like geometry to one Mg and one O atom.},
doi = {10.17188/1693156},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}