Materials Data on CdPt3 by Materials Project

doi:10.17188/1652759

Title: Materials Data on CdPt3 by Materials Project

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Abstract

Pt3Cd crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to ten Pt+0.67- and two equivalent Cd2+ atoms to form a mixture of distorted corner, edge, and face-sharing PtCd2Pt10 cuboctahedra. There are eight shorter (2.85 Å) and two longer (2.88 Å) Pt–Pt bond lengths. Both Pt–Cd bond lengths are 2.90 Å. In the second Pt+0.67- site, Pt+0.67- is bonded to eight Pt+0.67- and four equivalent Cd2+ atoms to form distorted PtCd4Pt8 cuboctahedra that share corners with twelve equivalent PtCd4Pt8 cuboctahedra, edges with sixteen PtCd2Pt10 cuboctahedra, and faces with fourteen PtCd2Pt10 cuboctahedra. There are two shorter (2.88 Å) and two longer (2.90 Å) Pt–Pt bond lengths. All Pt–Cd bond lengths are 2.85 Å. Cd2+ is bonded in a 10-coordinate geometry to ten Pt+0.67- atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-1067236

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; CdPt3; Cd-Pt

OSTI Identifier:: 1652759

DOI:: https://doi.org/10.17188/1652759

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                    The Materials Project. Materials Data on CdPt3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652759.

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                    The Materials Project. Materials Data on CdPt3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652759

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                    The Materials Project. 2020.  
"Materials Data on CdPt3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652759.  https://www.osti.gov/servlets/purl/1652759. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1652759,

  title        = {Materials Data on CdPt3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pt3Cd crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to ten Pt+0.67- and two equivalent Cd2+ atoms to form a mixture of distorted corner, edge, and face-sharing PtCd2Pt10 cuboctahedra. There are eight shorter (2.85 Å) and two longer (2.88 Å) Pt–Pt bond lengths. Both Pt–Cd bond lengths are 2.90 Å. In the second Pt+0.67- site, Pt+0.67- is bonded to eight Pt+0.67- and four equivalent Cd2+ atoms to form distorted PtCd4Pt8 cuboctahedra that share corners with twelve equivalent PtCd4Pt8 cuboctahedra, edges with sixteen PtCd2Pt10 cuboctahedra, and faces with fourteen PtCd2Pt10 cuboctahedra. There are two shorter (2.88 Å) and two longer (2.90 Å) Pt–Pt bond lengths. All Pt–Cd bond lengths are 2.85 Å. Cd2+ is bonded in a 10-coordinate geometry to ten Pt+0.67- atoms.},

  doi          = {10.17188/1652759},

  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/10.17188/1652759

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