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Title: Materials Data on TiI3 by Materials Project

Abstract

TiI3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two TiI3 ribbons oriented in the (1, 0, 0) direction. Ti3+ is bonded to six I1- atoms to form face-sharing TiI6 octahedra. There are a spread of Ti–I bond distances ranging from 2.75–2.87 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Ti3+ atoms. In the second I1- site, I1- is bonded in a distorted L-shaped geometry to two equivalent Ti3+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Ti3+ atoms. In the fourth I1- site, I1- is bonded in a distorted L-shaped geometry to two equivalent Ti3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-23264
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; TiI3; I-Ti
OSTI Identifier:
1199375
DOI:
https://doi.org/10.17188/1199375

Citation Formats

The Materials Project. Materials Data on TiI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199375.
The Materials Project. Materials Data on TiI3 by Materials Project. United States. doi:https://doi.org/10.17188/1199375
The Materials Project. 2020. "Materials Data on TiI3 by Materials Project". United States. doi:https://doi.org/10.17188/1199375. https://www.osti.gov/servlets/purl/1199375. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199375,
title = {Materials Data on TiI3 by Materials Project},
author = {The Materials Project},
abstractNote = {TiI3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two TiI3 ribbons oriented in the (1, 0, 0) direction. Ti3+ is bonded to six I1- atoms to form face-sharing TiI6 octahedra. There are a spread of Ti–I bond distances ranging from 2.75–2.87 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Ti3+ atoms. In the second I1- site, I1- is bonded in a distorted L-shaped geometry to two equivalent Ti3+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Ti3+ atoms. In the fourth I1- site, I1- is bonded in a distorted L-shaped geometry to two equivalent Ti3+ atoms.},
doi = {10.17188/1199375},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}