Materials Data on Cr2As by Materials Project

doi:10.17188/1197326

Title: Materials Data on Cr2As by Materials Project

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Abstract

Cr2As crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 5-coordinate geometry to five As atoms. There are one shorter (2.56 Å) and four longer (2.67 Å) Cr–As bond lengths. In the second Cr site, Cr is bonded to four As atoms to form a mixture of distorted edge and corner-sharing CrAs4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.45 Å) Cr–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to nine Cr atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Cr atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-22064

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; Cr2As; As-Cr

OSTI Identifier:: 1197326

DOI:: https://doi.org/10.17188/1197326

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                    The Materials Project. Materials Data on Cr2As by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197326.

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                    The Materials Project. Materials Data on Cr2As by Materials Project.  United States.  doi:https://doi.org/10.17188/1197326

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                    The Materials Project. 2020.  
"Materials Data on Cr2As by Materials Project".  United States.  doi:https://doi.org/10.17188/1197326.  https://www.osti.gov/servlets/purl/1197326. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1197326,

  title        = {Materials Data on Cr2As by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr2As crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 5-coordinate geometry to five As atoms. There are one shorter (2.56 Å) and four longer (2.67 Å) Cr–As bond lengths. In the second Cr site, Cr is bonded to four As atoms to form a mixture of distorted edge and corner-sharing CrAs4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.45 Å) Cr–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to nine Cr atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Cr atoms.},

  doi          = {10.17188/1197326},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197326

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