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Title: Materials Data on Sc3In by Materials Project

Abstract

Sc3In is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent In atoms to form distorted ScSc8In4 cuboctahedra that share corners with four equivalent InSc12 cuboctahedra, corners with fourteen equivalent ScSc8In4 cuboctahedra, edges with six equivalent InSc12 cuboctahedra, edges with twelve equivalent ScSc8In4 cuboctahedra, faces with four equivalent InSc12 cuboctahedra, and faces with sixteen equivalent ScSc8In4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.18–3.24 Å. There are two shorter (3.19 Å) and two longer (3.21 Å) Sc–In bond lengths. In is bonded to twelve equivalent Sc atoms to form InSc12 cuboctahedra that share corners with six equivalent InSc12 cuboctahedra, corners with twelve equivalent ScSc8In4 cuboctahedra, edges with eighteen equivalent ScSc8In4 cuboctahedra, faces with eight equivalent InSc12 cuboctahedra, and faces with twelve equivalent ScSc8In4 cuboctahedra.

Publication Date:
Other Number(s):
mp-19713
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; Sc3In; In-Sc
OSTI Identifier:
1194923
DOI:
https://doi.org/10.17188/1194923

Citation Formats

The Materials Project. Materials Data on Sc3In by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1194923.
The Materials Project. Materials Data on Sc3In by Materials Project. United States. doi:https://doi.org/10.17188/1194923
The Materials Project. 2020. "Materials Data on Sc3In by Materials Project". United States. doi:https://doi.org/10.17188/1194923. https://www.osti.gov/servlets/purl/1194923. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1194923,
title = {Materials Data on Sc3In by Materials Project},
author = {The Materials Project},
abstractNote = {Sc3In is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent In atoms to form distorted ScSc8In4 cuboctahedra that share corners with four equivalent InSc12 cuboctahedra, corners with fourteen equivalent ScSc8In4 cuboctahedra, edges with six equivalent InSc12 cuboctahedra, edges with twelve equivalent ScSc8In4 cuboctahedra, faces with four equivalent InSc12 cuboctahedra, and faces with sixteen equivalent ScSc8In4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.18–3.24 Å. There are two shorter (3.19 Å) and two longer (3.21 Å) Sc–In bond lengths. In is bonded to twelve equivalent Sc atoms to form InSc12 cuboctahedra that share corners with six equivalent InSc12 cuboctahedra, corners with twelve equivalent ScSc8In4 cuboctahedra, edges with eighteen equivalent ScSc8In4 cuboctahedra, faces with eight equivalent InSc12 cuboctahedra, and faces with twelve equivalent ScSc8In4 cuboctahedra.},
doi = {10.17188/1194923},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}