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Title: Materials Data on InSnBr3 by Materials Project

Abstract

InSnBr3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. In1+ is bonded in a 3-coordinate geometry to three Br1- atoms. There are a spread of In–Br bond distances ranging from 3.12–3.18 Å. Sn2+ is bonded to six Br1- atoms to form corner-sharing SnBr6 octahedra. The corner-sharing octahedra tilt angles range from 8–11°. There are a spread of Sn–Br bond distances ranging from 2.81–3.21 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a T-shaped geometry to one In1+ and two equivalent Sn2+ atoms. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to one In1+ and two equivalent Sn2+ atoms. In the third Br1- site, Br1- is bonded in a distorted T-shaped geometry to one In1+ and two equivalent Sn2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-998398
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; InSnBr3; Br-In-Sn
OSTI Identifier:
1317318
DOI:
https://doi.org/10.17188/1317318

Citation Formats

The Materials Project. Materials Data on InSnBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317318.
The Materials Project. Materials Data on InSnBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1317318
The Materials Project. 2020. "Materials Data on InSnBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1317318. https://www.osti.gov/servlets/purl/1317318. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1317318,
title = {Materials Data on InSnBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {InSnBr3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. In1+ is bonded in a 3-coordinate geometry to three Br1- atoms. There are a spread of In–Br bond distances ranging from 3.12–3.18 Å. Sn2+ is bonded to six Br1- atoms to form corner-sharing SnBr6 octahedra. The corner-sharing octahedra tilt angles range from 8–11°. There are a spread of Sn–Br bond distances ranging from 2.81–3.21 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a T-shaped geometry to one In1+ and two equivalent Sn2+ atoms. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to one In1+ and two equivalent Sn2+ atoms. In the third Br1- site, Br1- is bonded in a distorted T-shaped geometry to one In1+ and two equivalent Sn2+ atoms.},
doi = {10.17188/1317318},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}