Materials Data on CaCuP by Materials Project

doi:10.17188/1308101

Title: Materials Data on CaCuP by Materials Project

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Abstract

CaCuP crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent P3- atoms to form a mixture of edge, face, and corner-sharing CaP6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ca–P bond lengths are 3.05 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Cu–P bond lengths are 2.33 Å. P3- is bonded in a 3-coordinate geometry to six equivalent Ca2+ and three equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-8432

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; CaCuP; Ca-Cu-P

OSTI Identifier:: 1308101

DOI:: https://doi.org/10.17188/1308101

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                    The Materials Project. Materials Data on CaCuP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1308101.

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                    The Materials Project. Materials Data on CaCuP by Materials Project.  United States.  doi:https://doi.org/10.17188/1308101

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                    The Materials Project. 2020.  
"Materials Data on CaCuP by Materials Project".  United States.  doi:https://doi.org/10.17188/1308101.  https://www.osti.gov/servlets/purl/1308101. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1308101,

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

  author       = {The Materials Project},

  abstractNote = {CaCuP crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent P3- atoms to form a mixture of edge, face, and corner-sharing CaP6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ca–P bond lengths are 3.05 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Cu–P bond lengths are 2.33 Å. P3- is bonded in a 3-coordinate geometry to six equivalent Ca2+ and three equivalent Cu1+ atoms.},

  doi          = {10.17188/1308101},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1308101

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