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

Title: Materials Data on AgBiTe2 by Materials Project

Abstract

AgBiTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six Te2- atoms to form AgTe6 octahedra that share corners with three equivalent AgTe6 octahedra, corners with three equivalent BiTe6 octahedra, edges with three equivalent BiTe6 octahedra, and edges with nine AgTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–8°. There are three shorter (2.84 Å) and three longer (3.20 Å) Ag–Te bond lengths. In the second Ag1+ site, Ag1+ is bonded to six equivalent Te2- atoms to form a mixture of edge and corner-sharing AgTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Ag–Te bond lengths are 3.07 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with three equivalent AgTe6 octahedra, corners with three equivalent BiTe6 octahedra, edges with three equivalent AgTe6 octahedra, and edges with nine BiTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are three shorter (3.11 Å) and three longer (3.35 Å) Bi–Te bond lengths. In the second Bi3+ site, Bi3+ ismore » bonded to six equivalent Te2- atoms to form a mixture of edge and corner-sharing BiTe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Bi–Te bond lengths are 3.17 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six Bi3+ atoms to form a mixture of edge and corner-sharing TeBi6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the second Te2- site, Te2- is bonded to six Ag1+ atoms to form a mixture of edge and corner-sharing TeAg6 octahedra. The corner-sharing octahedra tilt angles range from 0–11°. In the third Te2- site, Te2- is bonded to three equivalent Ag1+ and three equivalent Bi3+ atoms to form a mixture of edge and corner-sharing TeAg3Bi3 octahedra. The corner-sharing octahedra tilt angles range from 6–11°.« less

Publication Date:
Other Number(s):
mp-570549
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; AgBiTe2; Ag-Bi-Te
OSTI Identifier:
1275770
DOI:
10.17188/1275770

Citation Formats

The Materials Project. Materials Data on AgBiTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275770.
The Materials Project. Materials Data on AgBiTe2 by Materials Project. United States. doi:10.17188/1275770.
The Materials Project. 2020. "Materials Data on AgBiTe2 by Materials Project". United States. doi:10.17188/1275770. https://www.osti.gov/servlets/purl/1275770. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275770,
title = {Materials Data on AgBiTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgBiTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six Te2- atoms to form AgTe6 octahedra that share corners with three equivalent AgTe6 octahedra, corners with three equivalent BiTe6 octahedra, edges with three equivalent BiTe6 octahedra, and edges with nine AgTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–8°. There are three shorter (2.84 Å) and three longer (3.20 Å) Ag–Te bond lengths. In the second Ag1+ site, Ag1+ is bonded to six equivalent Te2- atoms to form a mixture of edge and corner-sharing AgTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Ag–Te bond lengths are 3.07 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with three equivalent AgTe6 octahedra, corners with three equivalent BiTe6 octahedra, edges with three equivalent AgTe6 octahedra, and edges with nine BiTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are three shorter (3.11 Å) and three longer (3.35 Å) Bi–Te bond lengths. In the second Bi3+ site, Bi3+ is bonded to six equivalent Te2- atoms to form a mixture of edge and corner-sharing BiTe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Bi–Te bond lengths are 3.17 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six Bi3+ atoms to form a mixture of edge and corner-sharing TeBi6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the second Te2- site, Te2- is bonded to six Ag1+ atoms to form a mixture of edge and corner-sharing TeAg6 octahedra. The corner-sharing octahedra tilt angles range from 0–11°. In the third Te2- site, Te2- is bonded to three equivalent Ag1+ and three equivalent Bi3+ atoms to form a mixture of edge and corner-sharing TeAg3Bi3 octahedra. The corner-sharing octahedra tilt angles range from 6–11°.},
doi = {10.17188/1275770},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: