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Title: Materials Data on ScCuSi by Materials Project

Abstract

ScCuSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc3+ is bonded to five equivalent Si4- atoms to form distorted ScSi5 square pyramids that share corners with eight equivalent ScSi5 square pyramids, corners with eight equivalent CuSi4 tetrahedra, edges with six equivalent ScSi5 square pyramids, and edges with six equivalent CuSi4 tetrahedra. There are a spread of Sc–Si bond distances ranging from 2.78–2.83 Å. Cu1+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with eight equivalent ScSi5 square pyramids, corners with eight equivalent CuSi4 tetrahedra, edges with six equivalent ScSi5 square pyramids, and edges with two equivalent CuSi4 tetrahedra. There are a spread of Cu–Si bond distances ranging from 2.40–2.55 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Sc3+ and four equivalent Cu1+ atoms.

Publication Date:
Other Number(s):
mp-20083
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; ScCuSi; Cu-Sc-Si
OSTI Identifier:
1195236
DOI:
https://doi.org/10.17188/1195236

Citation Formats

The Materials Project. Materials Data on ScCuSi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195236.
The Materials Project. Materials Data on ScCuSi by Materials Project. United States. doi:https://doi.org/10.17188/1195236
The Materials Project. 2020. "Materials Data on ScCuSi by Materials Project". United States. doi:https://doi.org/10.17188/1195236. https://www.osti.gov/servlets/purl/1195236. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195236,
title = {Materials Data on ScCuSi by Materials Project},
author = {The Materials Project},
abstractNote = {ScCuSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc3+ is bonded to five equivalent Si4- atoms to form distorted ScSi5 square pyramids that share corners with eight equivalent ScSi5 square pyramids, corners with eight equivalent CuSi4 tetrahedra, edges with six equivalent ScSi5 square pyramids, and edges with six equivalent CuSi4 tetrahedra. There are a spread of Sc–Si bond distances ranging from 2.78–2.83 Å. Cu1+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with eight equivalent ScSi5 square pyramids, corners with eight equivalent CuSi4 tetrahedra, edges with six equivalent ScSi5 square pyramids, and edges with two equivalent CuSi4 tetrahedra. There are a spread of Cu–Si bond distances ranging from 2.40–2.55 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Sc3+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1195236},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}