Materials Data on Sr(AsPt)2 by Materials Project

doi:10.17188/1276307

Title: Materials Data on Sr(AsPt)2 by Materials Project

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Abstract

SrPt2As2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are a spread of Sr–Pt bond distances ranging from 3.20–3.58 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 11-coordinate geometry to four equivalent Sr2+, three equivalent Pt2-, and four equivalent As1+ atoms. There are two shorter (2.99 Å) and one longer (3.01 Å) Pt–Pt bond lengths. There are a spread of Pt–As bond distances ranging from 2.52–2.74 Å. In the second Pt2- site, Pt2- is bonded in a 9-coordinate geometry to four equivalent Sr2+ and five As1+ atoms. There are a spread of Pt–As bond distances ranging from 2.54–2.58 Å. There are two inequivalent As1+ sites. In the first As1+ site, As1+ is bonded to four equivalent Pt2- atoms to form a mixture of corner and edge-sharing AsPt4 tetrahedra. In the second As1+ site, As1+ is bonded in a 5-coordinate geometry to five Pt2- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-571534

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; Sr(AsPt)2; As-Pt-Sr

OSTI Identifier:: 1276307

DOI:: https://doi.org/10.17188/1276307

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                    The Materials Project. Materials Data on Sr(AsPt)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276307.

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                    The Materials Project. Materials Data on Sr(AsPt)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276307

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                    The Materials Project. 2020.  
"Materials Data on Sr(AsPt)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276307.  https://www.osti.gov/servlets/purl/1276307. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1276307,

  title        = {Materials Data on Sr(AsPt)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrPt2As2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are a spread of Sr–Pt bond distances ranging from 3.20–3.58 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 11-coordinate geometry to four equivalent Sr2+, three equivalent Pt2-, and four equivalent As1+ atoms. There are two shorter (2.99 Å) and one longer (3.01 Å) Pt–Pt bond lengths. There are a spread of Pt–As bond distances ranging from 2.52–2.74 Å. In the second Pt2- site, Pt2- is bonded in a 9-coordinate geometry to four equivalent Sr2+ and five As1+ atoms. There are a spread of Pt–As bond distances ranging from 2.54–2.58 Å. There are two inequivalent As1+ sites. In the first As1+ site, As1+ is bonded to four equivalent Pt2- atoms to form a mixture of corner and edge-sharing AsPt4 tetrahedra. In the second As1+ site, As1+ is bonded in a 5-coordinate geometry to five Pt2- atoms.},

  doi          = {10.17188/1276307},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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