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Title: Materials Data on GaSe2 by Materials Project

Abstract

GaSe2 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ga3+ is bonded to four Se+1.50- atoms to form corner-sharing GaSe4 tetrahedra. There are one shorter (2.41 Å) and three longer (2.43 Å) Ga–Se bond lengths. There are three inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a water-like geometry to two equivalent Ga3+ atoms. In the second Se+1.50- site, Se+1.50- is bonded in a water-like geometry to two equivalent Ga3+ atoms. In the third Se+1.50- site, Se+1.50- is bonded in a water-like geometry to two equivalent Ga3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-680721
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; GaSe2; Ga-Se
OSTI Identifier:
1283720
DOI:
10.17188/1283720

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on GaSe2 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1283720.
Persson, Kristin, & Project, Materials. Materials Data on GaSe2 by Materials Project. United States. doi:10.17188/1283720.
Persson, Kristin, and Project, Materials. 2014. "Materials Data on GaSe2 by Materials Project". United States. doi:10.17188/1283720. https://www.osti.gov/servlets/purl/1283720. Pub date:Mon Jun 02 00:00:00 EDT 2014
@article{osti_1283720,
title = {Materials Data on GaSe2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {GaSe2 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ga3+ is bonded to four Se+1.50- atoms to form corner-sharing GaSe4 tetrahedra. There are one shorter (2.41 Å) and three longer (2.43 Å) Ga–Se bond lengths. There are three inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a water-like geometry to two equivalent Ga3+ atoms. In the second Se+1.50- site, Se+1.50- is bonded in a water-like geometry to two equivalent Ga3+ atoms. In the third Se+1.50- site, Se+1.50- is bonded in a water-like geometry to two equivalent Ga3+ atoms.},
doi = {10.17188/1283720},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {6}
}

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