Materials Data on CrTe4Au by Materials Project

doi:10.17188/1189158

Title: Materials Data on CrTe4Au by Materials Project

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Abstract

CrAuTe4 crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of one CrAuTe4 sheet oriented in the (1, 0, 0) direction. Cr3+ is bonded to six Te2- atoms to form CrTe6 octahedra that share edges with two equivalent CrTe6 octahedra and edges with four equivalent AuTe6 octahedra. There are two shorter (2.73 Å) and four longer (2.76 Å) Cr–Te bond lengths. Au5+ is bonded to six Te2- atoms to form distorted AuTe6 octahedra that share edges with two equivalent AuTe6 octahedra and edges with four equivalent CrTe6 octahedra. There are four shorter (2.72 Å) and two longer (3.32 Å) Au–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to one Cr3+ and two equivalent Au5+ atoms. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Cr3+ and one Au5+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-12743

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; CrTe4Au; Au-Cr-Te

OSTI Identifier:: 1189158

DOI:: https://doi.org/10.17188/1189158

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                    The Materials Project. Materials Data on CrTe4Au by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189158.

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                    The Materials Project. Materials Data on CrTe4Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1189158

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                    The Materials Project. 2020.  
"Materials Data on CrTe4Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1189158.  https://www.osti.gov/servlets/purl/1189158. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1189158,

  title        = {Materials Data on CrTe4Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrAuTe4 crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of one CrAuTe4 sheet oriented in the (1, 0, 0) direction. Cr3+ is bonded to six Te2- atoms to form CrTe6 octahedra that share edges with two equivalent CrTe6 octahedra and edges with four equivalent AuTe6 octahedra. There are two shorter (2.73 Å) and four longer (2.76 Å) Cr–Te bond lengths. Au5+ is bonded to six Te2- atoms to form distorted AuTe6 octahedra that share edges with two equivalent AuTe6 octahedra and edges with four equivalent CrTe6 octahedra. There are four shorter (2.72 Å) and two longer (3.32 Å) Au–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to one Cr3+ and two equivalent Au5+ atoms. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Cr3+ and one Au5+ atom.},

  doi          = {10.17188/1189158},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189158

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