Materials Data on CuAsO3 by Materials Project

doi:10.17188/1272760

Title: Materials Data on CuAsO3 by Materials Project

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Abstract

CuAsO3 is Ilmenite structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cu1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 2.07–2.53 Å. As5+ is bonded to six O2- atoms to form edge-sharing AsO6 octahedra. There are a spread of As–O bond distances ranging from 1.89–1.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cu1+ and two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cu1+ and two equivalent As5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cu1+ and two equivalent As5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-776320

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; CuAsO3; As-Cu-O

OSTI Identifier:: 1272760

DOI:: https://doi.org/10.17188/1272760

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                    The Materials Project. Materials Data on CuAsO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272760.

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                    The Materials Project. Materials Data on CuAsO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272760

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                    The Materials Project. 2020.  
"Materials Data on CuAsO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272760.  https://www.osti.gov/servlets/purl/1272760. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1272760,

  title        = {Materials Data on CuAsO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuAsO3 is Ilmenite structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cu1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 2.07–2.53 Å. As5+ is bonded to six O2- atoms to form edge-sharing AsO6 octahedra. There are a spread of As–O bond distances ranging from 1.89–1.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cu1+ and two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cu1+ and two equivalent As5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cu1+ and two equivalent As5+ atoms.},

  doi          = {10.17188/1272760},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1272760

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