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

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 » 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.« less

Publication Date:
Other Number(s):
mp-14500
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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.
The Materials Project. Materials Data on Sr(As3Pt2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1190704
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
@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 = {2020},
month = {7}
}