Materials Data on Ca(InP)2 by Materials Project

doi:10.17188/1691020

Title: Materials Data on Ca(InP)2 by Materials Project

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Abstract

CaIn2P2 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two CaIn2P2 sheets oriented in the (0, 0, 1) direction. Ca2+ is bonded to six equivalent P3- atoms to form edge-sharing CaP6 octahedra. All Ca–P bond lengths are 2.97 Å. In2+ is bonded in a trigonal non-coplanar geometry to three equivalent P3- atoms. All In–P bond lengths are 2.63 Å. P3- is bonded to three equivalent Ca2+ and three equivalent In2+ atoms to form a mixture of edge and corner-sharing PCa3In3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1079772

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; Ca(InP)2; Ca-In-P

OSTI Identifier:: 1691020

DOI:: https://doi.org/10.17188/1691020

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                    The Materials Project. Materials Data on Ca(InP)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1691020.

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                    The Materials Project. Materials Data on Ca(InP)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1691020

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                    The Materials Project. 2020.  
"Materials Data on Ca(InP)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1691020.  https://www.osti.gov/servlets/purl/1691020. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1691020,

  title        = {Materials Data on Ca(InP)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaIn2P2 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two CaIn2P2 sheets oriented in the (0, 0, 1) direction. Ca2+ is bonded to six equivalent P3- atoms to form edge-sharing CaP6 octahedra. All Ca–P bond lengths are 2.97 Å. In2+ is bonded in a trigonal non-coplanar geometry to three equivalent P3- atoms. All In–P bond lengths are 2.63 Å. P3- is bonded to three equivalent Ca2+ and three equivalent In2+ atoms to form a mixture of edge and corner-sharing PCa3In3 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1691020},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1691020

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