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Title: Materials Data on SrSn3Sb4 by Materials Project

Abstract

SrSn3Sb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are a spread of Sr–Sb bond distances ranging from 3.38–3.69 Å. There are three inequivalent Sn+3.33+ sites. In the first Sn+3.33+ site, Sn+3.33+ is bonded in a distorted T-shaped geometry to three Sb3- atoms. There are two shorter (2.98 Å) and one longer (3.00 Å) Sn–Sb bond lengths. In the second Sn+3.33+ site, Sn+3.33+ is bonded in a distorted T-shaped geometry to three Sb3- atoms. There are two shorter (2.98 Å) and one longer (3.02 Å) Sn–Sb bond lengths. In the third Sn+3.33+ site, Sn+3.33+ is bonded to four Sb3- atoms to form corner-sharing SnSb4 tetrahedra. There are a spread of Sn–Sb bond distances ranging from 2.85–2.88 Å. There are four inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 6-coordinate geometry to three equivalent Sr2+, one Sn+3.33+, and two equivalent Sb3- atoms. Both Sb–Sb bond lengths are 2.99 Å. In the second Sb3- site, Sb3- is bonded to two equivalent Sr2+ and three Sn+3.33+ atoms to form distorted SbSr2Sn3 trigonal bipyramids that share corners with three equivalent SbSr2Sn3 trigonal bipyramids, cornersmore » with two equivalent SbSrSn3 trigonal pyramids, edges with three SbSr2Sn3 trigonal bipyramids, and edges with two equivalent SbSrSn3 trigonal pyramids. In the third Sb3- site, Sb3- is bonded to one Sr2+ and three Sn+3.33+ atoms to form SbSrSn3 trigonal pyramids that share corners with six SbSr2Sn3 trigonal bipyramids, corners with two equivalent SbSrSn3 trigonal pyramids, and edges with two equivalent SbSr2Sn3 trigonal bipyramids. In the fourth Sb3- site, Sb3- is bonded to two equivalent Sr2+ and three Sn+3.33+ atoms to form distorted SbSr2Sn3 trigonal bipyramids that share corners with three equivalent SbSr2Sn3 trigonal bipyramids, corners with four equivalent SbSrSn3 trigonal pyramids, and edges with three SbSr2Sn3 trigonal bipyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-866805
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; SrSn3Sb4; Sb-Sn-Sr
OSTI Identifier:
1311686
DOI:
https://doi.org/10.17188/1311686

Citation Formats

The Materials Project. Materials Data on SrSn3Sb4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311686.
The Materials Project. Materials Data on SrSn3Sb4 by Materials Project. United States. doi:https://doi.org/10.17188/1311686
The Materials Project. 2020. "Materials Data on SrSn3Sb4 by Materials Project". United States. doi:https://doi.org/10.17188/1311686. https://www.osti.gov/servlets/purl/1311686. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1311686,
title = {Materials Data on SrSn3Sb4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrSn3Sb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are a spread of Sr–Sb bond distances ranging from 3.38–3.69 Å. There are three inequivalent Sn+3.33+ sites. In the first Sn+3.33+ site, Sn+3.33+ is bonded in a distorted T-shaped geometry to three Sb3- atoms. There are two shorter (2.98 Å) and one longer (3.00 Å) Sn–Sb bond lengths. In the second Sn+3.33+ site, Sn+3.33+ is bonded in a distorted T-shaped geometry to three Sb3- atoms. There are two shorter (2.98 Å) and one longer (3.02 Å) Sn–Sb bond lengths. In the third Sn+3.33+ site, Sn+3.33+ is bonded to four Sb3- atoms to form corner-sharing SnSb4 tetrahedra. There are a spread of Sn–Sb bond distances ranging from 2.85–2.88 Å. There are four inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 6-coordinate geometry to three equivalent Sr2+, one Sn+3.33+, and two equivalent Sb3- atoms. Both Sb–Sb bond lengths are 2.99 Å. In the second Sb3- site, Sb3- is bonded to two equivalent Sr2+ and three Sn+3.33+ atoms to form distorted SbSr2Sn3 trigonal bipyramids that share corners with three equivalent SbSr2Sn3 trigonal bipyramids, corners with two equivalent SbSrSn3 trigonal pyramids, edges with three SbSr2Sn3 trigonal bipyramids, and edges with two equivalent SbSrSn3 trigonal pyramids. In the third Sb3- site, Sb3- is bonded to one Sr2+ and three Sn+3.33+ atoms to form SbSrSn3 trigonal pyramids that share corners with six SbSr2Sn3 trigonal bipyramids, corners with two equivalent SbSrSn3 trigonal pyramids, and edges with two equivalent SbSr2Sn3 trigonal bipyramids. In the fourth Sb3- site, Sb3- is bonded to two equivalent Sr2+ and three Sn+3.33+ atoms to form distorted SbSr2Sn3 trigonal bipyramids that share corners with three equivalent SbSr2Sn3 trigonal bipyramids, corners with four equivalent SbSrSn3 trigonal pyramids, and edges with three SbSr2Sn3 trigonal bipyramids.},
doi = {10.17188/1311686},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}