DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Sr(CuSi)2 by Materials Project

Abstract

SrCu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to eight equivalent Si4- atoms to form SrSi8 hexagonal bipyramids that share corners with sixteen equivalent CuSi4 tetrahedra, edges with four equivalent SrSi8 hexagonal bipyramids, edges with eight equivalent CuSi4 tetrahedra, and faces with four equivalent SrSi8 hexagonal bipyramids. All Sr–Si bond lengths are 3.21 Å. Cu3+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with eight equivalent SrSi8 hexagonal bipyramids, corners with four equivalent CuSi4 tetrahedra, edges with four equivalent SrSi8 hexagonal bipyramids, and edges with four equivalent CuSi4 tetrahedra. All Cu–Si bond lengths are 2.45 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sr2+, four equivalent Cu3+, and one Si4- atom. The Si–Si bond length is 2.45 Å.

Authors:
Publication Date:
Other Number(s):
mp-7877
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr(CuSi)2; Cu-Si-Sr
OSTI Identifier:
1307764
DOI:
https://doi.org/10.17188/1307764

Citation Formats

The Materials Project. Materials Data on Sr(CuSi)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1307764.
The Materials Project. Materials Data on Sr(CuSi)2 by Materials Project. United States. doi:https://doi.org/10.17188/1307764
The Materials Project. 2020. "Materials Data on Sr(CuSi)2 by Materials Project". United States. doi:https://doi.org/10.17188/1307764. https://www.osti.gov/servlets/purl/1307764. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1307764,
title = {Materials Data on Sr(CuSi)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrCu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to eight equivalent Si4- atoms to form SrSi8 hexagonal bipyramids that share corners with sixteen equivalent CuSi4 tetrahedra, edges with four equivalent SrSi8 hexagonal bipyramids, edges with eight equivalent CuSi4 tetrahedra, and faces with four equivalent SrSi8 hexagonal bipyramids. All Sr–Si bond lengths are 3.21 Å. Cu3+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with eight equivalent SrSi8 hexagonal bipyramids, corners with four equivalent CuSi4 tetrahedra, edges with four equivalent SrSi8 hexagonal bipyramids, and edges with four equivalent CuSi4 tetrahedra. All Cu–Si bond lengths are 2.45 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sr2+, four equivalent Cu3+, and one Si4- atom. The Si–Si bond length is 2.45 Å.},
doi = {10.17188/1307764},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}