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Title: Materials Data on Mg(PO5)2 by Materials Project

Abstract

MgO6(PO2)2 is Zincblende, Sphalerite structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two magnesium;dihydroxide;tetrahydrate molecules and two PO2 clusters. In each PO2 cluster, there are two inequivalent P sites. In the first P site, P is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.46 Å) and two longer (1.53 Å) P–O bond length. In the second P site, P is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There is one shorter (1.47 Å) and two longer (2.04 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in an L-shaped geometry to two P atoms.

Publication Date:
Other Number(s):
mp-1224699
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; Mg(PO5)2; Mg-O-P
OSTI Identifier:
1685769
DOI:
https://doi.org/10.17188/1685769

Citation Formats

The Materials Project. Materials Data on Mg(PO5)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685769.
The Materials Project. Materials Data on Mg(PO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1685769
The Materials Project. 2019. "Materials Data on Mg(PO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1685769. https://www.osti.gov/servlets/purl/1685769. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1685769,
title = {Materials Data on Mg(PO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgO6(PO2)2 is Zincblende, Sphalerite structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two magnesium;dihydroxide;tetrahydrate molecules and two PO2 clusters. In each PO2 cluster, there are two inequivalent P sites. In the first P site, P is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.46 Å) and two longer (1.53 Å) P–O bond length. In the second P site, P is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There is one shorter (1.47 Å) and two longer (2.04 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in an L-shaped geometry to two P atoms.},
doi = {10.17188/1685769},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}