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Title: Materials Data on InSnCl3 by Materials Project

Abstract

InSnCl3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. In1+ is bonded in a 3-coordinate geometry to three Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.97–3.01 Å. Sn2+ is bonded to six Cl1- atoms to form distorted corner-sharing SnCl6 octahedra. The corner-sharing octahedra tilt angles range from 9–11°. There are a spread of Sn–Cl bond distances ranging from 2.65–3.16 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to one In1+ and two equivalent Sn2+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one In1+ and two equivalent Sn2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to one In1+ and two equivalent Sn2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-998560
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; InSnCl3; Cl-In-Sn
OSTI Identifier:
1317350
DOI:
https://doi.org/10.17188/1317350

Citation Formats

The Materials Project. Materials Data on InSnCl3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1317350.
The Materials Project. Materials Data on InSnCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1317350
The Materials Project. 2017. "Materials Data on InSnCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1317350. https://www.osti.gov/servlets/purl/1317350. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1317350,
title = {Materials Data on InSnCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {InSnCl3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. In1+ is bonded in a 3-coordinate geometry to three Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.97–3.01 Å. Sn2+ is bonded to six Cl1- atoms to form distorted corner-sharing SnCl6 octahedra. The corner-sharing octahedra tilt angles range from 9–11°. There are a spread of Sn–Cl bond distances ranging from 2.65–3.16 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to one In1+ and two equivalent Sn2+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one In1+ and two equivalent Sn2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to one In1+ and two equivalent Sn2+ atoms.},
doi = {10.17188/1317350},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}