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Title: Materials Data on MgPHO9 by Materials Project

Abstract

MgO6HPO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of one phosphonic acid molecule and one MgO6 framework. In the MgO6 framework, Mg is bonded in an octahedral geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.21–2.28 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.27 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Mg and one O atom. The O–O bond length is 1.26 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.27 Å. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. In the sixth O site, O is bonded in a distorted bent 120 degreesmore » geometry to one Mg and one O atom.« less

Publication Date:
Other Number(s):
mp-632723
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; MgPHO9; H-Mg-O-P
OSTI Identifier:
1279342
DOI:
10.17188/1279342

Citation Formats

The Materials Project. Materials Data on MgPHO9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279342.
The Materials Project. Materials Data on MgPHO9 by Materials Project. United States. doi:10.17188/1279342.
The Materials Project. 2020. "Materials Data on MgPHO9 by Materials Project". United States. doi:10.17188/1279342. https://www.osti.gov/servlets/purl/1279342. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1279342,
title = {Materials Data on MgPHO9 by Materials Project},
author = {The Materials Project},
abstractNote = {MgO6HPO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of one phosphonic acid molecule and one MgO6 framework. In the MgO6 framework, Mg is bonded in an octahedral geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.21–2.28 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.27 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Mg and one O atom. The O–O bond length is 1.26 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.27 Å. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom.},
doi = {10.17188/1279342},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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