Materials Data on CrIn3 by Materials Project

doi:10.17188/1680429

Title: Materials Data on CrIn3 by Materials Project

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Abstract

CrIn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr is bonded to twelve equivalent In atoms to form CrIn12 cuboctahedra that share corners with six equivalent CrIn12 cuboctahedra, corners with twelve equivalent InCr4In8 cuboctahedra, edges with eighteen equivalent InCr4In8 cuboctahedra, faces with eight equivalent CrIn12 cuboctahedra, and faces with twelve equivalent InCr4In8 cuboctahedra. There are six shorter (3.11 Å) and six longer (3.20 Å) Cr–In bond lengths. In is bonded to four equivalent Cr and eight equivalent In atoms to form InCr4In8 cuboctahedra that share corners with four equivalent CrIn12 cuboctahedra, corners with fourteen equivalent InCr4In8 cuboctahedra, edges with six equivalent CrIn12 cuboctahedra, edges with twelve equivalent InCr4In8 cuboctahedra, faces with four equivalent CrIn12 cuboctahedra, and faces with sixteen equivalent InCr4In8 cuboctahedra. There are a spread of In–In bond distances ranging from 3.05–3.24 Å.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1183750

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; CrIn3; Cr-In

OSTI Identifier:: 1680429

DOI:: https://doi.org/10.17188/1680429

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                    The Materials Project. Materials Data on CrIn3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680429.

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                    The Materials Project. Materials Data on CrIn3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680429

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                    The Materials Project. 2020.  
"Materials Data on CrIn3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680429.  https://www.osti.gov/servlets/purl/1680429. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1680429,

  title        = {Materials Data on CrIn3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrIn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr is bonded to twelve equivalent In atoms to form CrIn12 cuboctahedra that share corners with six equivalent CrIn12 cuboctahedra, corners with twelve equivalent InCr4In8 cuboctahedra, edges with eighteen equivalent InCr4In8 cuboctahedra, faces with eight equivalent CrIn12 cuboctahedra, and faces with twelve equivalent InCr4In8 cuboctahedra. There are six shorter (3.11 Å) and six longer (3.20 Å) Cr–In bond lengths. In is bonded to four equivalent Cr and eight equivalent In atoms to form InCr4In8 cuboctahedra that share corners with four equivalent CrIn12 cuboctahedra, corners with fourteen equivalent InCr4In8 cuboctahedra, edges with six equivalent CrIn12 cuboctahedra, edges with twelve equivalent InCr4In8 cuboctahedra, faces with four equivalent CrIn12 cuboctahedra, and faces with sixteen equivalent InCr4In8 cuboctahedra. There are a spread of In–In bond distances ranging from 3.05–3.24 Å.},

  doi          = {10.17188/1680429},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1680429

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