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Title: Materials Data on MgAsNO10 by Materials Project

Abstract

MgAsNO10 crystallizes in the orthorhombic Pmn2_1 space group. The structure is two-dimensional and consists of two MgAsNO10 sheets oriented in the (0, 0, 1) direction. Mg is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.08–2.40 Å. As is bonded in a distorted tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.66–1.95 Å. N is bonded in a bent 120 degrees geometry to two equivalent O atoms. Both N–O bond lengths are 1.22 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one As and one O atom. The O–O bond length is 1.33 Å. In the second O site, O is bonded in a single-bond geometry to one As atom. In the third O site, O is bonded in a single-bond geometry to one As atom. 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 distorted bent 150 degrees geometry to one Mgmore » and one N atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.34 Å. In the seventh O site, O is bonded in a distorted water-like geometry to one Mg and one O atom.« less

Publication Date:
Other Number(s):
mp-1193403
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; MgAsNO10; As-Mg-N-O
OSTI Identifier:
1751139
DOI:
https://doi.org/10.17188/1751139

Citation Formats

The Materials Project. Materials Data on MgAsNO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751139.
The Materials Project. Materials Data on MgAsNO10 by Materials Project. United States. doi:https://doi.org/10.17188/1751139
The Materials Project. 2020. "Materials Data on MgAsNO10 by Materials Project". United States. doi:https://doi.org/10.17188/1751139. https://www.osti.gov/servlets/purl/1751139. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1751139,
title = {Materials Data on MgAsNO10 by Materials Project},
author = {The Materials Project},
abstractNote = {MgAsNO10 crystallizes in the orthorhombic Pmn2_1 space group. The structure is two-dimensional and consists of two MgAsNO10 sheets oriented in the (0, 0, 1) direction. Mg is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.08–2.40 Å. As is bonded in a distorted tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.66–1.95 Å. N is bonded in a bent 120 degrees geometry to two equivalent O atoms. Both N–O bond lengths are 1.22 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one As and one O atom. The O–O bond length is 1.33 Å. In the second O site, O is bonded in a single-bond geometry to one As atom. In the third O site, O is bonded in a single-bond geometry to one As atom. 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 distorted bent 150 degrees geometry to one Mg and one N atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.34 Å. In the seventh O site, O is bonded in a distorted water-like geometry to one Mg and one O atom.},
doi = {10.17188/1751139},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}