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Title: Materials Data on Cu3Sb by Materials Project

Abstract

Cu3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to six equivalent Sb3- atoms to form distorted CuSb6 octahedra that share corners with six equivalent CuSb6 octahedra, corners with twenty-four equivalent CuSb4 tetrahedra, edges with twelve equivalent CuSb6 octahedra, and faces with eight equivalent CuSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Sb bond lengths are 3.11 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent Sb3- atoms to form CuSb4 tetrahedra that share corners with twelve equivalent CuSb6 octahedra, corners with sixteen equivalent CuSb4 tetrahedra, edges with six equivalent CuSb4 tetrahedra, and faces with four equivalent CuSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Cu–Sb bond lengths are 2.70 Å. Sb3- is bonded in a distorted body-centered cubic geometry to fourteen Cu1+ atoms.

Publication Date:
Other Number(s):
mp-2002
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; Cu3Sb; Cu-Sb
OSTI Identifier:
1195191
DOI:
https://doi.org/10.17188/1195191

Citation Formats

The Materials Project. Materials Data on Cu3Sb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195191.
The Materials Project. Materials Data on Cu3Sb by Materials Project. United States. doi:https://doi.org/10.17188/1195191
The Materials Project. 2020. "Materials Data on Cu3Sb by Materials Project". United States. doi:https://doi.org/10.17188/1195191. https://www.osti.gov/servlets/purl/1195191. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1195191,
title = {Materials Data on Cu3Sb by Materials Project},
author = {The Materials Project},
abstractNote = {Cu3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to six equivalent Sb3- atoms to form distorted CuSb6 octahedra that share corners with six equivalent CuSb6 octahedra, corners with twenty-four equivalent CuSb4 tetrahedra, edges with twelve equivalent CuSb6 octahedra, and faces with eight equivalent CuSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Sb bond lengths are 3.11 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent Sb3- atoms to form CuSb4 tetrahedra that share corners with twelve equivalent CuSb6 octahedra, corners with sixteen equivalent CuSb4 tetrahedra, edges with six equivalent CuSb4 tetrahedra, and faces with four equivalent CuSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Cu–Sb bond lengths are 2.70 Å. Sb3- is bonded in a distorted body-centered cubic geometry to fourteen Cu1+ atoms.},
doi = {10.17188/1195191},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}