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Title: Materials Data on Rb3AgSn3Se8 by Materials Project

Abstract

Rb3AgSn3Se8 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.51 Å) and four longer (3.72 Å) Rb–Se bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. All Rb–Se bond lengths are 3.72 Å. Ag1+ is bonded to four equivalent Se2- atoms to form distorted AgSe4 tetrahedra that share edges with two equivalent SnSe4 tetrahedra. All Ag–Se bond lengths are 2.83 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four Se2- atoms to form SnSe4 tetrahedra that share an edgeedge with one AgSe4 tetrahedra and an edgeedge with one SnSe4 tetrahedra. There are two shorter (2.52 Å) and two longer (2.67 Å) Sn–Se bond lengths. In the second Sn4+ site, Sn4+ is bonded to four equivalent Se2- atoms to form edge-sharing SnSe4 tetrahedra. All Sn–Se bond lengths are 2.58 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to four Rb1+, one Ag1+, andmore » one Sn4+ atom. In the second Se2- site, Se2- is bonded to two equivalent Rb1+ and two Sn4+ atoms to form a mixture of edge and corner-sharing SeRb2Sn2 trigonal pyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-571164
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; Rb3AgSn3Se8; Ag-Rb-Se-Sn
OSTI Identifier:
1272849
DOI:
https://doi.org/10.17188/1272849

Citation Formats

The Materials Project. Materials Data on Rb3AgSn3Se8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272849.
The Materials Project. Materials Data on Rb3AgSn3Se8 by Materials Project. United States. doi:https://doi.org/10.17188/1272849
The Materials Project. 2020. "Materials Data on Rb3AgSn3Se8 by Materials Project". United States. doi:https://doi.org/10.17188/1272849. https://www.osti.gov/servlets/purl/1272849. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1272849,
title = {Materials Data on Rb3AgSn3Se8 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3AgSn3Se8 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.51 Å) and four longer (3.72 Å) Rb–Se bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. All Rb–Se bond lengths are 3.72 Å. Ag1+ is bonded to four equivalent Se2- atoms to form distorted AgSe4 tetrahedra that share edges with two equivalent SnSe4 tetrahedra. All Ag–Se bond lengths are 2.83 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four Se2- atoms to form SnSe4 tetrahedra that share an edgeedge with one AgSe4 tetrahedra and an edgeedge with one SnSe4 tetrahedra. There are two shorter (2.52 Å) and two longer (2.67 Å) Sn–Se bond lengths. In the second Sn4+ site, Sn4+ is bonded to four equivalent Se2- atoms to form edge-sharing SnSe4 tetrahedra. All Sn–Se bond lengths are 2.58 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to four Rb1+, one Ag1+, and one Sn4+ atom. In the second Se2- site, Se2- is bonded to two equivalent Rb1+ and two Sn4+ atoms to form a mixture of edge and corner-sharing SeRb2Sn2 trigonal pyramids.},
doi = {10.17188/1272849},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}