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Materials Data on Sb2Te3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1740078· OSTI ID:1740078
Sb2Te3 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Sb2Te3 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five Te2- atoms to form a mixture of corner and edge-sharing SbTe5 square pyramids. There are a spread of Sb–Te bond distances ranging from 2.89–3.44 Å. In the second Sb3+ site, Sb3+ is bonded to five Te2- atoms to form a mixture of corner and edge-sharing SbTe5 square pyramids. There are a spread of Sb–Te bond distances ranging from 2.88–3.16 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three Sb3+ atoms. In the second Te2- site, Te2- is bonded in a distorted L-shaped geometry to two equivalent Sb3+ atoms. In the third Te2- site, Te2- is bonded to five Sb3+ atoms to form distorted edge-sharing TeSb5 square pyramids.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1740078
Report Number(s):
mp-1078331
Country of Publication:
United States
Language:
English

References (2)

Microstructural refinement of cast p-type Bi2Te3–Sb2Te3 by equal channel angular extrusion journal January 2004
Formation of Sb2Te3 Widmanstätten precipitates in thermoelectric PbTe journal February 2009

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Related Subjects

36 MATERIALS SCIENCE
Sb-Te
Sb2Te3
crystal structure