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Title: Materials Data on SnTePd by Materials Project

Abstract

PdSnTe is Spinel-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Pd is bonded to three equivalent Sn and three equivalent Te atoms to form PdSn3Te3 octahedra that share corners with ten equivalent PdSn3Te3 octahedra, corners with three equivalent SnTePd3 tetrahedra, corners with three equivalent TeSnPd3 tetrahedra, and an edgeedge with one PdSn3Te3 octahedra. The corner-sharing octahedra tilt angles range from 53–67°. There are a spread of Pd–Sn bond distances ranging from 2.69–2.72 Å. There are a spread of Pd–Te bond distances ranging from 2.72–2.80 Å. Sn is bonded to three equivalent Pd and one Te atom to form distorted SnTePd3 tetrahedra that share corners with three equivalent PdSn3Te3 octahedra, corners with four equivalent SnTePd3 tetrahedra, corners with nine equivalent TeSnPd3 tetrahedra, and an edgeedge with one SnTePd3 tetrahedra. The corner-sharing octahedra tilt angles range from 75–85°. The Sn–Te bond length is 2.93 Å. Te is bonded to three equivalent Pd and one Sn atom to form TeSnPd3 tetrahedra that share corners with three equivalent PdSn3Te3 octahedra, corners with six equivalent TeSnPd3 tetrahedra, and corners with nine equivalent SnTePd3 tetrahedra. The corner-sharing octahedra tilt angles range from 75–80°.

Publication Date:
Other Number(s):
mp-567945
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; SnTePd; Pd-Sn-Te
OSTI Identifier:
1274141
DOI:
https://doi.org/10.17188/1274141

Citation Formats

The Materials Project. Materials Data on SnTePd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274141.
The Materials Project. Materials Data on SnTePd by Materials Project. United States. doi:https://doi.org/10.17188/1274141
The Materials Project. 2020. "Materials Data on SnTePd by Materials Project". United States. doi:https://doi.org/10.17188/1274141. https://www.osti.gov/servlets/purl/1274141. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1274141,
title = {Materials Data on SnTePd by Materials Project},
author = {The Materials Project},
abstractNote = {PdSnTe is Spinel-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Pd is bonded to three equivalent Sn and three equivalent Te atoms to form PdSn3Te3 octahedra that share corners with ten equivalent PdSn3Te3 octahedra, corners with three equivalent SnTePd3 tetrahedra, corners with three equivalent TeSnPd3 tetrahedra, and an edgeedge with one PdSn3Te3 octahedra. The corner-sharing octahedra tilt angles range from 53–67°. There are a spread of Pd–Sn bond distances ranging from 2.69–2.72 Å. There are a spread of Pd–Te bond distances ranging from 2.72–2.80 Å. Sn is bonded to three equivalent Pd and one Te atom to form distorted SnTePd3 tetrahedra that share corners with three equivalent PdSn3Te3 octahedra, corners with four equivalent SnTePd3 tetrahedra, corners with nine equivalent TeSnPd3 tetrahedra, and an edgeedge with one SnTePd3 tetrahedra. The corner-sharing octahedra tilt angles range from 75–85°. The Sn–Te bond length is 2.93 Å. Te is bonded to three equivalent Pd and one Sn atom to form TeSnPd3 tetrahedra that share corners with three equivalent PdSn3Te3 octahedra, corners with six equivalent TeSnPd3 tetrahedra, and corners with nine equivalent SnTePd3 tetrahedra. The corner-sharing octahedra tilt angles range from 75–80°.},
doi = {10.17188/1274141},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}