Materials Data on As2O9 by Materials Project

doi:10.17188/1741096

Title: Materials Data on As2O9 by Materials Project

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Abstract

As2O7O2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four oxygen molecules and two As2O7 ribbons oriented in the (0, 0, 1) direction. In each As2O7 ribbon, there are two inequivalent As sites. In the first As site, As is bonded in a distorted trigonal pyramidal geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.65–2.09 Å. In the second As site, As is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of As–O bond distances ranging from 1.65–2.12 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 1.37 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 bent 120 degrees geometry to one As and one O atom. In the fifth O site, O is bonded in a bent 120 degrees geometry tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1182590

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; As2O9; As-O

OSTI Identifier:: 1741096

DOI:: https://doi.org/10.17188/1741096

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                    The Materials Project. Materials Data on As2O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741096.

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                    The Materials Project. Materials Data on As2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1741096

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                    The Materials Project. 2020.  
"Materials Data on As2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1741096.  https://www.osti.gov/servlets/purl/1741096. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1741096,

  title        = {Materials Data on As2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {As2O7O2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four oxygen molecules and two As2O7 ribbons oriented in the (0, 0, 1) direction. In each As2O7 ribbon, there are two inequivalent As sites. In the first As site, As is bonded in a distorted trigonal pyramidal geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.65–2.09 Å. In the second As site, As is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of As–O bond distances ranging from 1.65–2.12 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 1.37 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 bent 120 degrees geometry to one As and one O atom. In the fifth 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 sixth O site, O is bonded in a bent 120 degrees geometry to one As and one O atom. In the seventh O site, O is bonded in a single-bond geometry to one As atom.},

  doi          = {10.17188/1741096},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1741096

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