Materials Data on MgAsNO10 by Materials Project

doi:10.17188/1708339

Title: Materials Data on MgAsNO10 by Materials Project

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Abstract

MgAsNO10 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two MgAsNO10 ribbons oriented in the (0, 1, 0) direction. In one of the MgAsNO10 ribbons, Mg is bonded in a distorted square pyramidal geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 2.00–2.30 Å. As is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of As–O bond distances ranging from 1.68–2.16 Å. N is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.14 Å) and one longer (1.82 Å) N–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.25 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 water-like geometry to one As and one O atom. The O–O bond length is 1.32 Å. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, Omore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1180728

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:: 1708339

DOI:: https://doi.org/10.17188/1708339

Citation Formats


                    The Materials Project. Materials Data on MgAsNO10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1708339.

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                    The Materials Project. Materials Data on MgAsNO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1708339

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                    The Materials Project. 2020.  
"Materials Data on MgAsNO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1708339.  https://www.osti.gov/servlets/purl/1708339. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1708339,

  title        = {Materials Data on MgAsNO10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgAsNO10 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two MgAsNO10 ribbons oriented in the (0, 1, 0) direction. In one of the MgAsNO10 ribbons, Mg is bonded in a distorted square pyramidal geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 2.00–2.30 Å. As is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of As–O bond distances ranging from 1.68–2.16 Å. N is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.14 Å) and one longer (1.82 Å) N–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.25 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 water-like geometry to one As and one O atom. The O–O bond length is 1.32 Å. In the fourth O site, O is bonded in a single-bond geometry to one N 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 trigonal planar geometry to one Mg, one As, and one N atom. In the seventh O site, O is bonded in an L-shaped geometry to one Mg and one O atom. The O–O bond length is 1.37 Å. In the eighth O site, O is bonded in a distorted L-shaped geometry to one Mg and one O atom. The O–O bond length is 1.36 Å. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. In the tenth O site, O is bonded in a water-like geometry to two O atoms. In one of the MgAsNO10 ribbons, Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.09–2.35 Å. As is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of As–O bond distances ranging from 1.71–2.16 Å. N is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.14 Å) and one longer (1.82 Å) N–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Mg and one As atom. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.25 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one As and one O atom. The O–O bond length is 1.32 Å. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to one Mg, one As, 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. In the seventh O site, O is bonded in an L-shaped geometry to one Mg and one O atom. The O–O bond length is 1.35 Å. In the eighth O site, O is bonded in an L-shaped geometry to one Mg and one O atom. The O–O bond length is 1.39 Å. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. In the tenth O site, O is bonded in a water-like geometry to two O atoms.},

  doi          = {10.17188/1708339},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1708339

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