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Title: Materials Data on ScS2 by Materials Project

Abstract

ScS2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent S+1.50- atoms to form a mixture of edge and corner-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two shorter (2.54 Å) and four longer (2.57 Å) Sc–S bond lengths. S+1.50- is bonded in a distorted trigonal planar geometry to three equivalent Sc3+ atoms.

Publication Date:
Other Number(s):
mp-862373
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; ScS2; S-Sc
OSTI Identifier:
1309434
DOI:
https://doi.org/10.17188/1309434

Citation Formats

The Materials Project. Materials Data on ScS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1309434.
The Materials Project. Materials Data on ScS2 by Materials Project. United States. doi:https://doi.org/10.17188/1309434
The Materials Project. 2020. "Materials Data on ScS2 by Materials Project". United States. doi:https://doi.org/10.17188/1309434. https://www.osti.gov/servlets/purl/1309434. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1309434,
title = {Materials Data on ScS2 by Materials Project},
author = {The Materials Project},
abstractNote = {ScS2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent S+1.50- atoms to form a mixture of edge and corner-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two shorter (2.54 Å) and four longer (2.57 Å) Sc–S bond lengths. S+1.50- is bonded in a distorted trigonal planar geometry to three equivalent Sc3+ atoms.},
doi = {10.17188/1309434},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}