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Title: Materials Data on ScTe by Materials Project

Abstract

ScTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc2+ is bonded to six Te2- atoms to form a mixture of edge, corner, and face-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–47°. There are three shorter (2.88 Å) and three longer (3.00 Å) Sc–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Sc2+ atoms to form a mixture of distorted edge and corner-sharing TeSc6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 3°. In the second Te2- site, Te2- is bonded to six equivalent Sc2+ atoms to form a mixture of edge and corner-sharing TeSc6 octahedra.

Publication Date:
Other Number(s):
mp-1079832
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; ScTe; Sc-Te
OSTI Identifier:
1743871
DOI:
https://doi.org/10.17188/1743871

Citation Formats

The Materials Project. Materials Data on ScTe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743871.
The Materials Project. Materials Data on ScTe by Materials Project. United States. doi:https://doi.org/10.17188/1743871
The Materials Project. 2020. "Materials Data on ScTe by Materials Project". United States. doi:https://doi.org/10.17188/1743871. https://www.osti.gov/servlets/purl/1743871. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1743871,
title = {Materials Data on ScTe by Materials Project},
author = {The Materials Project},
abstractNote = {ScTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc2+ is bonded to six Te2- atoms to form a mixture of edge, corner, and face-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–47°. There are three shorter (2.88 Å) and three longer (3.00 Å) Sc–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Sc2+ atoms to form a mixture of distorted edge and corner-sharing TeSc6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 3°. In the second Te2- site, Te2- is bonded to six equivalent Sc2+ atoms to form a mixture of edge and corner-sharing TeSc6 octahedra.},
doi = {10.17188/1743871},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}