DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Sr(GaSe2)2 by Materials Project

Abstract

SrGa2Se4 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.29 Å) and four longer (3.32 Å) Sr–Se bond lengths. Ga3+ is bonded to four Se2- atoms to form edge-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.43–2.47 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Ga3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Sr2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SeSr2Ga2 trigonal pyramids.

Publication Date:
Other Number(s):
mp-1104062
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; Sr(GaSe2)2; Ga-Se-Sr
OSTI Identifier:
1680259
DOI:
https://doi.org/10.17188/1680259

Citation Formats

The Materials Project. Materials Data on Sr(GaSe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680259.
The Materials Project. Materials Data on Sr(GaSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1680259
The Materials Project. 2020. "Materials Data on Sr(GaSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1680259. https://www.osti.gov/servlets/purl/1680259. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1680259,
title = {Materials Data on Sr(GaSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrGa2Se4 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.29 Å) and four longer (3.32 Å) Sr–Se bond lengths. Ga3+ is bonded to four Se2- atoms to form edge-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.43–2.47 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Ga3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Sr2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SeSr2Ga2 trigonal pyramids.},
doi = {10.17188/1680259},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}