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Title: Materials Data on InAgTeSe by Materials Project

Abstract

AgInTeSe is Stannite-like structured and crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. Ag1+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form AgTe2Se2 tetrahedra that share corners with four equivalent AgTe2Se2 tetrahedra and corners with eight equivalent InTe2Se2 tetrahedra. Both Ag–Te bond lengths are 2.79 Å. Both Ag–Se bond lengths are 2.74 Å. In3+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form InTe2Se2 tetrahedra that share corners with four equivalent InTe2Se2 tetrahedra and corners with eight equivalent AgTe2Se2 tetrahedra. Both In–Te bond lengths are 2.84 Å. Both In–Se bond lengths are 2.67 Å. Te2- is bonded to two equivalent Ag1+ and two equivalent In3+ atoms to form TeIn2Ag2 tetrahedra that share corners with four equivalent TeIn2Ag2 tetrahedra and corners with eight equivalent SeIn2Ag2 tetrahedra. Se2- is bonded to two equivalent Ag1+ and two equivalent In3+ atoms to form SeIn2Ag2 tetrahedra that share corners with four equivalent SeIn2Ag2 tetrahedra and corners with eight equivalent TeIn2Ag2 tetrahedra.

Publication Date:
Other Number(s):
mp-1223961
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; InAgTeSe; Ag-In-Se-Te
OSTI Identifier:
1685467
DOI:
https://doi.org/10.17188/1685467

Citation Formats

The Materials Project. Materials Data on InAgTeSe by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685467.
The Materials Project. Materials Data on InAgTeSe by Materials Project. United States. doi:https://doi.org/10.17188/1685467
The Materials Project. 2019. "Materials Data on InAgTeSe by Materials Project". United States. doi:https://doi.org/10.17188/1685467. https://www.osti.gov/servlets/purl/1685467. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1685467,
title = {Materials Data on InAgTeSe by Materials Project},
author = {The Materials Project},
abstractNote = {AgInTeSe is Stannite-like structured and crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. Ag1+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form AgTe2Se2 tetrahedra that share corners with four equivalent AgTe2Se2 tetrahedra and corners with eight equivalent InTe2Se2 tetrahedra. Both Ag–Te bond lengths are 2.79 Å. Both Ag–Se bond lengths are 2.74 Å. In3+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form InTe2Se2 tetrahedra that share corners with four equivalent InTe2Se2 tetrahedra and corners with eight equivalent AgTe2Se2 tetrahedra. Both In–Te bond lengths are 2.84 Å. Both In–Se bond lengths are 2.67 Å. Te2- is bonded to two equivalent Ag1+ and two equivalent In3+ atoms to form TeIn2Ag2 tetrahedra that share corners with four equivalent TeIn2Ag2 tetrahedra and corners with eight equivalent SeIn2Ag2 tetrahedra. Se2- is bonded to two equivalent Ag1+ and two equivalent In3+ atoms to form SeIn2Ag2 tetrahedra that share corners with four equivalent SeIn2Ag2 tetrahedra and corners with eight equivalent TeIn2Ag2 tetrahedra.},
doi = {10.17188/1685467},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}