Materials Data on Sr(As3Pt2)2 by Materials Project

doi:10.17188/1190704

Title: Materials Data on Sr(As3Pt2)2 by Materials Project

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Abstract

Sr(Pt2As3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded to six Pt2- atoms to form distorted corner-sharing SrPt6 pentagonal pyramids. There are a spread of Sr–Pt bond distances ranging from 2.99–3.18 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six As1+ atoms to form corner-sharing PtAs6 octahedra. The corner-sharing octahedra tilt angles range from 60–65°. There are two shorter (2.52 Å) and four longer (2.53 Å) Pt–As bond lengths. In the second Pt2- site, Pt2- is bonded to two equivalent Sr2+ and four As1+ atoms to form PtSr2As4 octahedra that share corners with ten PtAs6 octahedra and edges with four PtSr2As4 octahedra. The corner-sharing octahedra tilt angles range from 20–108°. There are a spread of Pt–As bond distances ranging from 2.48–2.54 Å. In the third Pt2- site, Pt2- is bonded to two equivalent Sr2+ and four As1+ atoms to form PtSr2As4 octahedra that share corners with ten PtAs6 octahedra and edges with four equivalent PtSr2As4 octahedra. The corner-sharing octahedra tilt angles range from 30–83°. There are two shorter (2.47 Å) and two longer (2.53 Å) Pt–As bond lengths. There are three inequivalent As1+ sites. In themore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-14500

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(As3Pt2)2; As-Pt-Sr

OSTI Identifier:: 1190704

DOI:: https://doi.org/10.17188/1190704

Citation Formats


                    The Materials Project. Materials Data on Sr(As3Pt2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1190704.

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                    The Materials Project. Materials Data on Sr(As3Pt2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190704

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                    The Materials Project. 2020.  
"Materials Data on Sr(As3Pt2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190704.  https://www.osti.gov/servlets/purl/1190704. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1190704,

  title        = {Materials Data on Sr(As3Pt2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr(Pt2As3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded to six Pt2- atoms to form distorted corner-sharing SrPt6 pentagonal pyramids. There are a spread of Sr–Pt bond distances ranging from 2.99–3.18 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six As1+ atoms to form corner-sharing PtAs6 octahedra. The corner-sharing octahedra tilt angles range from 60–65°. There are two shorter (2.52 Å) and four longer (2.53 Å) Pt–As bond lengths. In the second Pt2- site, Pt2- is bonded to two equivalent Sr2+ and four As1+ atoms to form PtSr2As4 octahedra that share corners with ten PtAs6 octahedra and edges with four PtSr2As4 octahedra. The corner-sharing octahedra tilt angles range from 20–108°. There are a spread of Pt–As bond distances ranging from 2.48–2.54 Å. In the third Pt2- site, Pt2- is bonded to two equivalent Sr2+ and four As1+ atoms to form PtSr2As4 octahedra that share corners with ten PtAs6 octahedra and edges with four equivalent PtSr2As4 octahedra. The corner-sharing octahedra tilt angles range from 30–83°. There are two shorter (2.47 Å) and two longer (2.53 Å) Pt–As bond lengths. There are three inequivalent As1+ sites. In the first As1+ site, As1+ is bonded in a trigonal non-coplanar geometry to three Pt2- atoms. In the second As1+ site, As1+ is bonded in a trigonal planar geometry to three Pt2- atoms. In the third As1+ site, As1+ is bonded in a trigonal non-coplanar geometry to three Pt2- atoms.},

  doi          = {10.17188/1190704},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1190704

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