Materials Data on Cr2GaN by Materials Project

doi:10.17188/1187048

Title: Materials Data on Cr2GaN by Materials Project

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Abstract

Cr2GaN is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr is bonded in a 3-coordinate geometry to three equivalent Ga and three equivalent N atoms. All Cr–Ga bond lengths are 2.68 Å. All Cr–N bond lengths are 1.96 Å. Ga is bonded to six equivalent Cr atoms to form distorted GaCr6 cuboctahedra that share corners with six equivalent NCr6 octahedra, edges with six equivalent GaCr6 cuboctahedra, and edges with six equivalent NCr6 octahedra. The corner-sharing octahedral tilt angles are 21°. N is bonded to six equivalent Cr atoms to form NCr6 octahedra that share corners with six equivalent GaCr6 cuboctahedra, edges with six equivalent GaCr6 cuboctahedra, and edges with six equivalent NCr6 octahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-10371

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; Cr2GaN; Cr-Ga-N

OSTI Identifier:: 1187048

DOI:: https://doi.org/10.17188/1187048

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                    The Materials Project. Materials Data on Cr2GaN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187048.

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                    The Materials Project. Materials Data on Cr2GaN by Materials Project.  United States.  doi:https://doi.org/10.17188/1187048

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                    The Materials Project. 2020.  
"Materials Data on Cr2GaN by Materials Project".  United States.  doi:https://doi.org/10.17188/1187048.  https://www.osti.gov/servlets/purl/1187048. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187048,

  title        = {Materials Data on Cr2GaN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr2GaN is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr is bonded in a 3-coordinate geometry to three equivalent Ga and three equivalent N atoms. All Cr–Ga bond lengths are 2.68 Å. All Cr–N bond lengths are 1.96 Å. Ga is bonded to six equivalent Cr atoms to form distorted GaCr6 cuboctahedra that share corners with six equivalent NCr6 octahedra, edges with six equivalent GaCr6 cuboctahedra, and edges with six equivalent NCr6 octahedra. The corner-sharing octahedral tilt angles are 21°. N is bonded to six equivalent Cr atoms to form NCr6 octahedra that share corners with six equivalent GaCr6 cuboctahedra, edges with six equivalent GaCr6 cuboctahedra, and edges with six equivalent NCr6 octahedra.},

  doi          = {10.17188/1187048},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187048

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