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Title: Materials Data on Sc2In by Materials Project

Abstract

Sc2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to eight Sc and six equivalent In atoms. There are two shorter (3.15 Å) and six longer (3.32 Å) Sc–Sc bond lengths. All Sc–In bond lengths are 3.32 Å. In the second Sc site, Sc is bonded to six equivalent Sc and five equivalent In atoms to form a mixture of distorted face and corner-sharing ScSc6In5 trigonal bipyramids. There are three shorter (2.92 Å) and two longer (3.15 Å) Sc–In bond lengths. In is bonded in a 11-coordinate geometry to eleven Sc atoms.

Publication Date:
Other Number(s):
mp-31348
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; Sc2In; In-Sc
OSTI Identifier:
1205598
DOI:
10.17188/1205598

Citation Formats

The Materials Project. Materials Data on Sc2In by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205598.
The Materials Project. Materials Data on Sc2In by Materials Project. United States. doi:10.17188/1205598.
The Materials Project. 2020. "Materials Data on Sc2In by Materials Project". United States. doi:10.17188/1205598. https://www.osti.gov/servlets/purl/1205598. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205598,
title = {Materials Data on Sc2In by Materials Project},
author = {The Materials Project},
abstractNote = {Sc2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to eight Sc and six equivalent In atoms. There are two shorter (3.15 Å) and six longer (3.32 Å) Sc–Sc bond lengths. All Sc–In bond lengths are 3.32 Å. In the second Sc site, Sc is bonded to six equivalent Sc and five equivalent In atoms to form a mixture of distorted face and corner-sharing ScSc6In5 trigonal bipyramids. There are three shorter (2.92 Å) and two longer (3.15 Å) Sc–In bond lengths. In is bonded in a 11-coordinate geometry to eleven Sc atoms.},
doi = {10.17188/1205598},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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