Materials Data on MgAsNO10 by Materials Project

doi:10.17188/1751139

Title: Materials Data on MgAsNO10 by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1193403

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; MgAsNO10; As-Mg-N-O

OSTI Identifier:: 1751139

DOI:: https://doi.org/10.17188/1751139

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                    The Materials Project. Materials Data on MgAsNO10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751139.

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                    The Materials Project. Materials Data on MgAsNO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751139

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1751139

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