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

Title: Materials Data on GaAgSeS by Materials Project

Abstract

AgGaSSe is Stannite-like structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Ag1+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form AgSe2S2 tetrahedra that share corners with four equivalent AgSe2S2 tetrahedra and corners with eight equivalent GaSe2S2 tetrahedra. Both Ag–Se bond lengths are 2.67 Å. There are one shorter (2.58 Å) and one longer (2.59 Å) Ag–S bond lengths. Ga3+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form GaSe2S2 tetrahedra that share corners with four equivalent GaSe2S2 tetrahedra and corners with eight equivalent AgSe2S2 tetrahedra. Both Ga–Se bond lengths are 2.44 Å. Both Ga–S bond lengths are 2.32 Å. Se2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form SeGa2Ag2 tetrahedra that share corners with four equivalent SeGa2Ag2 tetrahedra and corners with eight equivalent SGa2Ag2 tetrahedra. S2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form SGa2Ag2 tetrahedra that share corners with four equivalent SGa2Ag2 tetrahedra and corners with eight equivalent SeGa2Ag2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1224820
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; GaAgSeS; Ag-Ga-S-Se
OSTI Identifier:
1758246
DOI:
https://doi.org/10.17188/1758246

Citation Formats

The Materials Project. Materials Data on GaAgSeS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758246.
The Materials Project. Materials Data on GaAgSeS by Materials Project. United States. doi:https://doi.org/10.17188/1758246
The Materials Project. 2020. "Materials Data on GaAgSeS by Materials Project". United States. doi:https://doi.org/10.17188/1758246. https://www.osti.gov/servlets/purl/1758246. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758246,
title = {Materials Data on GaAgSeS by Materials Project},
author = {The Materials Project},
abstractNote = {AgGaSSe is Stannite-like structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Ag1+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form AgSe2S2 tetrahedra that share corners with four equivalent AgSe2S2 tetrahedra and corners with eight equivalent GaSe2S2 tetrahedra. Both Ag–Se bond lengths are 2.67 Å. There are one shorter (2.58 Å) and one longer (2.59 Å) Ag–S bond lengths. Ga3+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form GaSe2S2 tetrahedra that share corners with four equivalent GaSe2S2 tetrahedra and corners with eight equivalent AgSe2S2 tetrahedra. Both Ga–Se bond lengths are 2.44 Å. Both Ga–S bond lengths are 2.32 Å. Se2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form SeGa2Ag2 tetrahedra that share corners with four equivalent SeGa2Ag2 tetrahedra and corners with eight equivalent SGa2Ag2 tetrahedra. S2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form SGa2Ag2 tetrahedra that share corners with four equivalent SGa2Ag2 tetrahedra and corners with eight equivalent SeGa2Ag2 tetrahedra.},
doi = {10.17188/1758246},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}