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Title: Materials Data on AgSbSe2 by Materials Project

Abstract

AgSbSe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ag1+ is bonded to six Se2- atoms to form AgSe6 octahedra that share corners with six equivalent AgSe6 octahedra, edges with four equivalent AgSe6 octahedra, and edges with eight equivalent SbSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.89 Å) and four longer (2.90 Å) Ag–Se bond lengths. Sb3+ is bonded to six Se2- atoms to form SbSe6 octahedra that share corners with six equivalent SbSe6 octahedra, edges with four equivalent SbSe6 octahedra, and edges with eight equivalent AgSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.89 Å) and four longer (2.90 Å) Sb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Ag1+ and four equivalent Sb3+ atoms to form a mixture of edge and corner-sharing SeAg2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Se2- site, Se2- is bonded to four equivalent Ag1+ and two equivalent Sb3+ atoms to form SeAg4Sb2 octahedra that share corners with six equivalent SeAg4Sb2 octahedra and edges with twelve SeAg2Sb4 octahedra. The corner-sharing octahedralmore » tilt angles are 0°.« less

Publication Date:
Other Number(s):
mp-1229008
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; AgSbSe2; Ag-Sb-Se
OSTI Identifier:
1663860
DOI:
https://doi.org/10.17188/1663860

Citation Formats

The Materials Project. Materials Data on AgSbSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663860.
The Materials Project. Materials Data on AgSbSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1663860
The Materials Project. 2020. "Materials Data on AgSbSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1663860. https://www.osti.gov/servlets/purl/1663860. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1663860,
title = {Materials Data on AgSbSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgSbSe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ag1+ is bonded to six Se2- atoms to form AgSe6 octahedra that share corners with six equivalent AgSe6 octahedra, edges with four equivalent AgSe6 octahedra, and edges with eight equivalent SbSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.89 Å) and four longer (2.90 Å) Ag–Se bond lengths. Sb3+ is bonded to six Se2- atoms to form SbSe6 octahedra that share corners with six equivalent SbSe6 octahedra, edges with four equivalent SbSe6 octahedra, and edges with eight equivalent AgSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.89 Å) and four longer (2.90 Å) Sb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Ag1+ and four equivalent Sb3+ atoms to form a mixture of edge and corner-sharing SeAg2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Se2- site, Se2- is bonded to four equivalent Ag1+ and two equivalent Sb3+ atoms to form SeAg4Sb2 octahedra that share corners with six equivalent SeAg4Sb2 octahedra and edges with twelve SeAg2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1663860},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}