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Title: Materials Data on LaGaSe2O by Materials Project

Abstract

(LaO)GaSe2 crystallizes in the orthorhombic Pca2_1 space group. The structure is two-dimensional and consists of one GaSe2 sheet oriented in the (0, 0, 1) direction and one LaO sheet oriented in the (0, 0, 1) direction. In the GaSe2 sheet, Ga3+ is bonded to four Se2- atoms to form corner-sharing GaSe4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.47 Å) Ga–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted single-bond geometry to one Ga3+ atom. In the second Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three equivalent Ga3+ atoms. In the LaO sheet, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.44 Å. O2- is bonded to four equivalent La3+ atoms to form a mixture of distorted corner and edge-sharing OLa4 tetrahedra.

Publication Date:
Other Number(s):
mp-559594
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; LaGaSe2O; Ga-La-O-Se
OSTI Identifier:
1270938
DOI:
https://doi.org/10.17188/1270938

Citation Formats

The Materials Project. Materials Data on LaGaSe2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270938.
The Materials Project. Materials Data on LaGaSe2O by Materials Project. United States. doi:https://doi.org/10.17188/1270938
The Materials Project. 2020. "Materials Data on LaGaSe2O by Materials Project". United States. doi:https://doi.org/10.17188/1270938. https://www.osti.gov/servlets/purl/1270938. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1270938,
title = {Materials Data on LaGaSe2O by Materials Project},
author = {The Materials Project},
abstractNote = {(LaO)GaSe2 crystallizes in the orthorhombic Pca2_1 space group. The structure is two-dimensional and consists of one GaSe2 sheet oriented in the (0, 0, 1) direction and one LaO sheet oriented in the (0, 0, 1) direction. In the GaSe2 sheet, Ga3+ is bonded to four Se2- atoms to form corner-sharing GaSe4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.47 Å) Ga–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted single-bond geometry to one Ga3+ atom. In the second Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three equivalent Ga3+ atoms. In the LaO sheet, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.44 Å. O2- is bonded to four equivalent La3+ atoms to form a mixture of distorted corner and edge-sharing OLa4 tetrahedra.},
doi = {10.17188/1270938},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}