Materials Data on Ca10Si3Pt7 by Materials Project

doi:10.17188/1745165

Title: Materials Data on Ca10Si3Pt7 by Materials Project

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Abstract

Ca10Pt7Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to five Pt+1.14- and two equivalent Si4- atoms. There are a spread of Ca–Pt bond distances ranging from 2.93–3.17 Å. Both Ca–Si bond lengths are 3.11 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six equivalent Pt+1.14- atoms. All Ca–Pt bond lengths are 3.01 Å. In the third Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to six equivalent Pt+1.14- and three equivalent Si4- atoms. All Ca–Pt bond lengths are 3.39 Å. All Ca–Si bond lengths are 3.20 Å. There are two inequivalent Pt+1.14- sites. In the first Pt+1.14- site, Pt+1.14- is bonded in a 9-coordinate geometry to six equivalent Ca2+ and three equivalent Si4- atoms. All Pt–Si bond lengths are 2.48 Å. In the second Pt+1.14- site, Pt+1.14- is bonded in a 9-coordinate geometry to eight Ca2+ and one Si4- atom. The Pt–Si bond length is 2.37 Å. Si4- is bonded in a 3-coordinate geometry to six Ca2+ and three Pt+1.14- atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1205012

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; Ca10Si3Pt7; Ca-Pt-Si

OSTI Identifier:: 1745165

DOI:: https://doi.org/10.17188/1745165

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                    The Materials Project. Materials Data on Ca10Si3Pt7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1745165.

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                    The Materials Project. Materials Data on Ca10Si3Pt7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1745165

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                    The Materials Project. 2020.  
"Materials Data on Ca10Si3Pt7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1745165.  https://www.osti.gov/servlets/purl/1745165. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1745165,

  title        = {Materials Data on Ca10Si3Pt7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca10Pt7Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to five Pt+1.14- and two equivalent Si4- atoms. There are a spread of Ca–Pt bond distances ranging from 2.93–3.17 Å. Both Ca–Si bond lengths are 3.11 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six equivalent Pt+1.14- atoms. All Ca–Pt bond lengths are 3.01 Å. In the third Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to six equivalent Pt+1.14- and three equivalent Si4- atoms. All Ca–Pt bond lengths are 3.39 Å. All Ca–Si bond lengths are 3.20 Å. There are two inequivalent Pt+1.14- sites. In the first Pt+1.14- site, Pt+1.14- is bonded in a 9-coordinate geometry to six equivalent Ca2+ and three equivalent Si4- atoms. All Pt–Si bond lengths are 2.48 Å. In the second Pt+1.14- site, Pt+1.14- is bonded in a 9-coordinate geometry to eight Ca2+ and one Si4- atom. The Pt–Si bond length is 2.37 Å. Si4- is bonded in a 3-coordinate geometry to six Ca2+ and three Pt+1.14- atoms.},

  doi          = {10.17188/1745165},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1745165

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