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Title: Materials Data on Sr4Sn2Se9 by Materials Project

Abstract

Sr4Sn2Se9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Sr–Se bond distances ranging from 3.17–3.36 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Sr–Se bond distances ranging from 3.19–3.35 Å. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted tetrahedral geometry to four Se+1.33- atoms. There are a spread of Sn–Se bond distances ranging from 2.57–2.59 Å. In the second Sn2+ site, Sn2+ is bonded in a 6-coordinate geometry to six Se+1.33- atoms. There are a spread of Sn–Se bond distances ranging from 2.57–3.34 Å. There are eight inequivalent Se+1.33- sites. In the first Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to four Sr2+ and one Se+1.33- atom. The Se–Se bond length is 2.46 Å. In the second Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to four Sr2+ and one Sn2+ atom. In the third Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometrymore » to four Sr2+ and one Se+1.33- atom. The Se–Se bond length is 2.45 Å. In the fourth Se+1.33- site, Se+1.33- is bonded to four Sr2+ and one Sn2+ atom to form distorted edge-sharing SeSr4Sn trigonal bipyramids. In the fifth Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to four Sr2+ and one Sn2+ atom. In the sixth Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to three Sr2+ and two Sn2+ atoms. In the seventh Se+1.33- site, Se+1.33- is bonded to four Sr2+ and one Sn2+ atom to form distorted edge-sharing SeSr4Sn trigonal bipyramids. In the eighth Se+1.33- site, Se+1.33- is bonded in a rectangular see-saw-like geometry to two equivalent Sr2+ and two equivalent Sn2+ atoms.« less

Publication Date:
Other Number(s):
mp-570983
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; Sr4Sn2Se9; Se-Sn-Sr
OSTI Identifier:
1276034
DOI:
https://doi.org/10.17188/1276034

Citation Formats

The Materials Project. Materials Data on Sr4Sn2Se9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276034.
The Materials Project. Materials Data on Sr4Sn2Se9 by Materials Project. United States. doi:https://doi.org/10.17188/1276034
The Materials Project. 2020. "Materials Data on Sr4Sn2Se9 by Materials Project". United States. doi:https://doi.org/10.17188/1276034. https://www.osti.gov/servlets/purl/1276034. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1276034,
title = {Materials Data on Sr4Sn2Se9 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr4Sn2Se9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Sr–Se bond distances ranging from 3.17–3.36 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Sr–Se bond distances ranging from 3.19–3.35 Å. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted tetrahedral geometry to four Se+1.33- atoms. There are a spread of Sn–Se bond distances ranging from 2.57–2.59 Å. In the second Sn2+ site, Sn2+ is bonded in a 6-coordinate geometry to six Se+1.33- atoms. There are a spread of Sn–Se bond distances ranging from 2.57–3.34 Å. There are eight inequivalent Se+1.33- sites. In the first Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to four Sr2+ and one Se+1.33- atom. The Se–Se bond length is 2.46 Å. In the second Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to four Sr2+ and one Sn2+ atom. In the third Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to four Sr2+ and one Se+1.33- atom. The Se–Se bond length is 2.45 Å. In the fourth Se+1.33- site, Se+1.33- is bonded to four Sr2+ and one Sn2+ atom to form distorted edge-sharing SeSr4Sn trigonal bipyramids. In the fifth Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to four Sr2+ and one Sn2+ atom. In the sixth Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to three Sr2+ and two Sn2+ atoms. In the seventh Se+1.33- site, Se+1.33- is bonded to four Sr2+ and one Sn2+ atom to form distorted edge-sharing SeSr4Sn trigonal bipyramids. In the eighth Se+1.33- site, Se+1.33- is bonded in a rectangular see-saw-like geometry to two equivalent Sr2+ and two equivalent Sn2+ atoms.},
doi = {10.17188/1276034},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}