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Title: Materials Data on Zr5ZnSb3 by Materials Project

Abstract

Zr5ZnSb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded to two equivalent Zn and five equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing ZrZn2Sb5 pentagonal bipyramids. Both Zr–Zn bond lengths are 2.76 Å. There are a spread of Zr–Sb bond distances ranging from 2.97–3.11 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sb atoms. All Zr–Sb bond lengths are 3.07 Å. Zn is bonded to six equivalent Zr atoms to form distorted face-sharing ZnZr6 octahedra. Sb is bonded in a 9-coordinate geometry to nine Zr atoms.

Publication Date:
Other Number(s):
mp-10870
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; Zr5ZnSb3; Sb-Zn-Zr
OSTI Identifier:
1187414
DOI:
https://doi.org/10.17188/1187414

Citation Formats

The Materials Project. Materials Data on Zr5ZnSb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187414.
The Materials Project. Materials Data on Zr5ZnSb3 by Materials Project. United States. doi:https://doi.org/10.17188/1187414
The Materials Project. 2020. "Materials Data on Zr5ZnSb3 by Materials Project". United States. doi:https://doi.org/10.17188/1187414. https://www.osti.gov/servlets/purl/1187414. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187414,
title = {Materials Data on Zr5ZnSb3 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr5ZnSb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded to two equivalent Zn and five equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing ZrZn2Sb5 pentagonal bipyramids. Both Zr–Zn bond lengths are 2.76 Å. There are a spread of Zr–Sb bond distances ranging from 2.97–3.11 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sb atoms. All Zr–Sb bond lengths are 3.07 Å. Zn is bonded to six equivalent Zr atoms to form distorted face-sharing ZnZr6 octahedra. Sb is bonded in a 9-coordinate geometry to nine Zr atoms.},
doi = {10.17188/1187414},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}