Materials Data on SmAsPt by Materials Project

doi:10.17188/1652151

Title: Materials Data on SmAsPt by Materials Project

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Abstract

SmPtAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing SmAs6Pt6 cuboctahedra. All Sm–Pt bond lengths are 3.27 Å. All Sm–As bond lengths are 3.13 Å. In the second Sm3+ site, Sm3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing SmAs6Pt6 cuboctahedra. All Sm–Pt bond lengths are 3.12 Å. All Sm–As bond lengths are 3.26 Å. Pt2- is bonded in a 9-coordinate geometry to six Sm3+ and three equivalent As1- atoms. All Pt–As bond lengths are 2.51 Å. As1- is bonded in a 9-coordinate geometry to six Sm3+ and three equivalent Pt2- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1103143

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; SmAsPt; As-Pt-Sm

OSTI Identifier:: 1652151

DOI:: https://doi.org/10.17188/1652151

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                    The Materials Project. Materials Data on SmAsPt by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652151.

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                    The Materials Project. Materials Data on SmAsPt by Materials Project.  United States.  doi:https://doi.org/10.17188/1652151

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                    The Materials Project. 2020.  
"Materials Data on SmAsPt by Materials Project".  United States.  doi:https://doi.org/10.17188/1652151.  https://www.osti.gov/servlets/purl/1652151. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1652151,

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

  author       = {The Materials Project},

  abstractNote = {SmPtAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing SmAs6Pt6 cuboctahedra. All Sm–Pt bond lengths are 3.27 Å. All Sm–As bond lengths are 3.13 Å. In the second Sm3+ site, Sm3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing SmAs6Pt6 cuboctahedra. All Sm–Pt bond lengths are 3.12 Å. All Sm–As bond lengths are 3.26 Å. Pt2- is bonded in a 9-coordinate geometry to six Sm3+ and three equivalent As1- atoms. All Pt–As bond lengths are 2.51 Å. As1- is bonded in a 9-coordinate geometry to six Sm3+ and three equivalent Pt2- atoms.},

  doi          = {10.17188/1652151},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1652151

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