Materials Data on CaCuSb by Materials Project

doi:10.17188/1277174

Title: Materials Data on CaCuSb by Materials Project

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Abstract

CaCuSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Sb3- atoms to form a mixture of face, edge, and corner-sharing CaSb6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Ca–Sb bond lengths are 3.29 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.58 Å. Sb3- is bonded in a 9-coordinate geometry to six equivalent Ca2+ and three equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-5910

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; CaCuSb; Ca-Cu-Sb

OSTI Identifier:: 1277174

DOI:: https://doi.org/10.17188/1277174

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                    The Materials Project. Materials Data on CaCuSb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277174.

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                    The Materials Project. Materials Data on CaCuSb by Materials Project.  United States.  doi:https://doi.org/10.17188/1277174

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                    The Materials Project. 2020.  
"Materials Data on CaCuSb by Materials Project".  United States.  doi:https://doi.org/10.17188/1277174.  https://www.osti.gov/servlets/purl/1277174. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1277174,

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

  author       = {The Materials Project},

  abstractNote = {CaCuSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Sb3- atoms to form a mixture of face, edge, and corner-sharing CaSb6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Ca–Sb bond lengths are 3.29 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.58 Å. Sb3- is bonded in a 9-coordinate geometry to six equivalent Ca2+ and three equivalent Cu1+ atoms.},

  doi          = {10.17188/1277174},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277174

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