Materials Data on Cr3Pt by Materials Project

doi:10.17188/1711692

Title: Materials Data on Cr3Pt by Materials Project

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Abstract

Cr3Pt is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 12-coordinate geometry to eight Cr and four equivalent Pt atoms. There are a spread of Cr–Cr bond distances ranging from 2.43–2.93 Å. There are two shorter (2.67 Å) and two longer (2.69 Å) Cr–Pt bond lengths. In the second Cr site, Cr is bonded in a 12-coordinate geometry to eight Cr and four equivalent Pt atoms. Both Cr–Cr bond lengths are 2.49 Å. There are two shorter (2.67 Å) and two longer (2.69 Å) Cr–Pt bond lengths. Pt is bonded to twelve Cr atoms to form a mixture of corner and face-sharing PtCr12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1183705

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; Cr3Pt; Cr-Pt

OSTI Identifier:: 1711692

DOI:: https://doi.org/10.17188/1711692

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                    The Materials Project. Materials Data on Cr3Pt by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711692.

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                    The Materials Project. Materials Data on Cr3Pt by Materials Project.  United States.  doi:https://doi.org/10.17188/1711692

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                    The Materials Project. 2020.  
"Materials Data on Cr3Pt by Materials Project".  United States.  doi:https://doi.org/10.17188/1711692.  https://www.osti.gov/servlets/purl/1711692. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1711692,

  title        = {Materials Data on Cr3Pt by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr3Pt is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 12-coordinate geometry to eight Cr and four equivalent Pt atoms. There are a spread of Cr–Cr bond distances ranging from 2.43–2.93 Å. There are two shorter (2.67 Å) and two longer (2.69 Å) Cr–Pt bond lengths. In the second Cr site, Cr is bonded in a 12-coordinate geometry to eight Cr and four equivalent Pt atoms. Both Cr–Cr bond lengths are 2.49 Å. There are two shorter (2.67 Å) and two longer (2.69 Å) Cr–Pt bond lengths. Pt is bonded to twelve Cr atoms to form a mixture of corner and face-sharing PtCr12 cuboctahedra.},

  doi          = {10.17188/1711692},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711692

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