U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GaI2 by Materials Project
Abstract
GaI2 crystallizes in the trigonal R3c space group. The structure is one-dimensional and consists of eighteen GaI2 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded to four I1- atoms to form distorted edge-sharing GaI4 trigonal pyramids. There are a spread of Ga–I bond distances ranging from 3.21–3.44 Å. In the second Ga2+ site, Ga2+ is bonded to four I1- atoms to form edge-sharing GaI4 tetrahedra. There are a spread of Ga–I bond distances ranging from 2.58–2.62 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted L-shaped geometry to two Ga2+ atoms. In the second I1- site, I1- is bonded in a distorted L-shaped geometry to two Ga2+ atoms. In the third I1- site, I1- is bonded in a distorted single-bond geometry to two Ga2+ atoms. In the fourth I1- site, I1- is bonded in an L-shaped geometry to two Ga2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-570738
- 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; GaI2; Ga-I
- OSTI Identifier:
- 1275882
- DOI:
- https://doi.org/10.17188/1275882
Citation Formats
The Materials Project. Materials Data on GaI2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275882.
The Materials Project. Materials Data on GaI2 by Materials Project. United States. doi:https://doi.org/10.17188/1275882
The Materials Project. 2020.
"Materials Data on GaI2 by Materials Project". United States. doi:https://doi.org/10.17188/1275882. https://www.osti.gov/servlets/purl/1275882. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1275882,
title = {Materials Data on GaI2 by Materials Project},
author = {The Materials Project},
abstractNote = {GaI2 crystallizes in the trigonal R3c space group. The structure is one-dimensional and consists of eighteen GaI2 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded to four I1- atoms to form distorted edge-sharing GaI4 trigonal pyramids. There are a spread of Ga–I bond distances ranging from 3.21–3.44 Å. In the second Ga2+ site, Ga2+ is bonded to four I1- atoms to form edge-sharing GaI4 tetrahedra. There are a spread of Ga–I bond distances ranging from 2.58–2.62 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted L-shaped geometry to two Ga2+ atoms. In the second I1- site, I1- is bonded in a distorted L-shaped geometry to two Ga2+ atoms. In the third I1- site, I1- is bonded in a distorted single-bond geometry to two Ga2+ atoms. In the fourth I1- site, I1- is bonded in an L-shaped geometry to two Ga2+ atoms.},
doi = {10.17188/1275882},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}