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Title: Materials Data on Sc2Te by Materials Project

Abstract

Sc2Te crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are six inequivalent Sc sites. In the first Sc site, Sc is bonded in a 2-coordinate geometry to two Te atoms. There are one shorter (2.98 Å) and one longer (3.16 Å) Sc–Te bond lengths. In the second Sc site, Sc is bonded in a 4-coordinate geometry to four Te atoms. There are two shorter (2.99 Å) and two longer (3.01 Å) Sc–Te bond lengths. In the third Sc site, Sc is bonded to five Te atoms to form a mixture of distorted corner and edge-sharing ScTe5 trigonal bipyramids. There are a spread of Sc–Te bond distances ranging from 2.94–2.98 Å. In the fourth Sc site, Sc is bonded in a 3-coordinate geometry to three Te atoms. There are one shorter (2.94 Å) and two longer (2.96 Å) Sc–Te bond lengths. In the fifth Sc site, Sc is bonded to five Te atoms to form a mixture of distorted corner and edge-sharing ScTe5 square pyramids. There are one shorter (2.87 Å) and four longer (2.93 Å) Sc–Te bond lengths. In the sixth Sc site, Sc is bonded in a 5-coordinate geometry to five Te atoms. There aremore » a spread of Sc–Te bond distances ranging from 2.97–3.32 Å. There are three inequivalent Te sites. In the first Te site, Te is bonded in a 9-coordinate geometry to nine Sc atoms. In the second Te site, Te is bonded in a 8-coordinate geometry to eight Sc atoms. In the third Te site, Te is bonded to seven Sc atoms to form distorted edge-sharing TeSc7 pentagonal bipyramids.« less

Publication Date:
Other Number(s):
mp-21576
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; Sc2Te; Sc-Te
OSTI Identifier:
1197007
DOI:
https://doi.org/10.17188/1197007

Citation Formats

The Materials Project. Materials Data on Sc2Te by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197007.
The Materials Project. Materials Data on Sc2Te by Materials Project. United States. doi:https://doi.org/10.17188/1197007
The Materials Project. 2020. "Materials Data on Sc2Te by Materials Project". United States. doi:https://doi.org/10.17188/1197007. https://www.osti.gov/servlets/purl/1197007. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1197007,
title = {Materials Data on Sc2Te by Materials Project},
author = {The Materials Project},
abstractNote = {Sc2Te crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are six inequivalent Sc sites. In the first Sc site, Sc is bonded in a 2-coordinate geometry to two Te atoms. There are one shorter (2.98 Å) and one longer (3.16 Å) Sc–Te bond lengths. In the second Sc site, Sc is bonded in a 4-coordinate geometry to four Te atoms. There are two shorter (2.99 Å) and two longer (3.01 Å) Sc–Te bond lengths. In the third Sc site, Sc is bonded to five Te atoms to form a mixture of distorted corner and edge-sharing ScTe5 trigonal bipyramids. There are a spread of Sc–Te bond distances ranging from 2.94–2.98 Å. In the fourth Sc site, Sc is bonded in a 3-coordinate geometry to three Te atoms. There are one shorter (2.94 Å) and two longer (2.96 Å) Sc–Te bond lengths. In the fifth Sc site, Sc is bonded to five Te atoms to form a mixture of distorted corner and edge-sharing ScTe5 square pyramids. There are one shorter (2.87 Å) and four longer (2.93 Å) Sc–Te bond lengths. In the sixth Sc site, Sc is bonded in a 5-coordinate geometry to five Te atoms. There are a spread of Sc–Te bond distances ranging from 2.97–3.32 Å. There are three inequivalent Te sites. In the first Te site, Te is bonded in a 9-coordinate geometry to nine Sc atoms. In the second Te site, Te is bonded in a 8-coordinate geometry to eight Sc atoms. In the third Te site, Te is bonded to seven Sc atoms to form distorted edge-sharing TeSc7 pentagonal bipyramids.},
doi = {10.17188/1197007},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}