Materials Data on CuAsO3 by Materials Project

doi:10.17188/1722092

Title: Materials Data on CuAsO3 by Materials Project

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Abstract

CuAsO3 crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one CuAsO3 sheet oriented in the (0, 1, 0) direction. Cu1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.02 Å. As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.84 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cu1+ and one As5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1178368

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:: 1722092

DOI:: https://doi.org/10.17188/1722092

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                    The Materials Project. Materials Data on CuAsO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722092.

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                    The Materials Project. Materials Data on CuAsO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722092

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                    The Materials Project. 2020.  
"Materials Data on CuAsO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722092.  https://www.osti.gov/servlets/purl/1722092. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1722092,

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

  author       = {The Materials Project},

  abstractNote = {CuAsO3 crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one CuAsO3 sheet oriented in the (0, 1, 0) direction. Cu1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.02 Å. As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.84 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cu1+ and one As5+ atom.},

  doi          = {10.17188/1722092},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1722092

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