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Title: Materials Data on Sn3Ir2S3 by Materials Project

Abstract

Ir2Sn3S3 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Ir is bonded to three equivalent Sn and three equivalent S atoms to form distorted corner-sharing IrSn3S3 octahedra. The corner-sharing octahedra tilt angles range from 49–62°. All Ir–Sn bond lengths are 2.72 Å. All Ir–S bond lengths are 2.32 Å. Sn is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Sn atoms. There are one shorter (2.87 Å) and one longer (3.11 Å) Sn–Sn bond lengths. S is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir and one S atom. The S–S bond length is 2.29 Å.

Authors:
Publication Date:
Other Number(s):
mp-1196117
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; Sn3Ir2S3; Ir-S-Sn
OSTI Identifier:
1688155
DOI:
https://doi.org/10.17188/1688155

Citation Formats

The Materials Project. Materials Data on Sn3Ir2S3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1688155.
The Materials Project. Materials Data on Sn3Ir2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1688155
The Materials Project. 2020. "Materials Data on Sn3Ir2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1688155. https://www.osti.gov/servlets/purl/1688155. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1688155,
title = {Materials Data on Sn3Ir2S3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ir2Sn3S3 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Ir is bonded to three equivalent Sn and three equivalent S atoms to form distorted corner-sharing IrSn3S3 octahedra. The corner-sharing octahedra tilt angles range from 49–62°. All Ir–Sn bond lengths are 2.72 Å. All Ir–S bond lengths are 2.32 Å. Sn is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Sn atoms. There are one shorter (2.87 Å) and one longer (3.11 Å) Sn–Sn bond lengths. S is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir and one S atom. The S–S bond length is 2.29 Å.},
doi = {10.17188/1688155},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}