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Title: Materials Data on Zr2CuSb3 by Materials Project

Abstract

Zr2CuSb3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Zr4+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Zr–Sb bond distances ranging from 2.96–3.11 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.78 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to four equivalent Zr4+ and four equivalent Cu1+ atoms to form a mixture of distorted corner and face-sharing SbZr4Cu4 hexagonal bipyramids. In the second Sb3- site, Sb3- is bonded in a 5-coordinate geometry to five equivalent Zr4+ atoms.

Publication Date:
Other Number(s):
mp-16421
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; Zr2CuSb3; Cu-Sb-Zr
OSTI Identifier:
1191859
DOI:
10.17188/1191859

Citation Formats

The Materials Project. Materials Data on Zr2CuSb3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1191859.
The Materials Project. Materials Data on Zr2CuSb3 by Materials Project. United States. doi:10.17188/1191859.
The Materials Project. 2017. "Materials Data on Zr2CuSb3 by Materials Project". United States. doi:10.17188/1191859. https://www.osti.gov/servlets/purl/1191859. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1191859,
title = {Materials Data on Zr2CuSb3 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr2CuSb3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Zr4+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Zr–Sb bond distances ranging from 2.96–3.11 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.78 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to four equivalent Zr4+ and four equivalent Cu1+ atoms to form a mixture of distorted corner and face-sharing SbZr4Cu4 hexagonal bipyramids. In the second Sb3- site, Sb3- is bonded in a 5-coordinate geometry to five equivalent Zr4+ atoms.},
doi = {10.17188/1191859},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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