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Title: Materials Data on Sb2Te by Materials Project

Abstract

Sb2Te is Calaverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two antimony molecules and one Sb4Te3 sheet oriented in the (0, 0, 1) direction. In the Sb4Te3 sheet, there are two inequivalent Sb1+ sites. In the first Sb1+ site, Sb1+ is bonded in a 3-coordinate geometry to three equivalent Te2- atoms. All Sb–Te bond lengths are 3.57 Å. In the second Sb1+ site, Sb1+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing SbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.04 Å) and three longer (3.20 Å) Sb–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Sb1+ atoms to form a mixture of corner and edge-sharing TeSb6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Te2- site, Te2- is bonded to six Sb1+ atoms to form a mixture of distorted corner and edge-sharing TeSb6 octahedra. The corner-sharing octahedral tilt angles are 4°.

Authors:
Publication Date:
Other Number(s):
mp-6997
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; Sb2Te; Sb-Te
OSTI Identifier:
1285559
DOI:
https://doi.org/10.17188/1285559

Citation Formats

The Materials Project. Materials Data on Sb2Te by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285559.
The Materials Project. Materials Data on Sb2Te by Materials Project. United States. doi:https://doi.org/10.17188/1285559
The Materials Project. 2020. "Materials Data on Sb2Te by Materials Project". United States. doi:https://doi.org/10.17188/1285559. https://www.osti.gov/servlets/purl/1285559. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1285559,
title = {Materials Data on Sb2Te by Materials Project},
author = {The Materials Project},
abstractNote = {Sb2Te is Calaverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two antimony molecules and one Sb4Te3 sheet oriented in the (0, 0, 1) direction. In the Sb4Te3 sheet, there are two inequivalent Sb1+ sites. In the first Sb1+ site, Sb1+ is bonded in a 3-coordinate geometry to three equivalent Te2- atoms. All Sb–Te bond lengths are 3.57 Å. In the second Sb1+ site, Sb1+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing SbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.04 Å) and three longer (3.20 Å) Sb–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Sb1+ atoms to form a mixture of corner and edge-sharing TeSb6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Te2- site, Te2- is bonded to six Sb1+ atoms to form a mixture of distorted corner and edge-sharing TeSb6 octahedra. The corner-sharing octahedral tilt angles are 4°.},
doi = {10.17188/1285559},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}