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Title: Materials Data on Hf5ZnSb3 by Materials Project

Abstract

Hf5ZnSb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to two equivalent Zn and five equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing HfZn2Sb5 pentagonal bipyramids. Both Hf–Zn bond lengths are 2.73 Å. There are a spread of Hf–Sb bond distances ranging from 2.95–3.06 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Sb atoms. All Hf–Sb bond lengths are 3.04 Å. Zn is bonded to six equivalent Hf atoms to form distorted face-sharing ZnHf6 octahedra. Sb is bonded in a 9-coordinate geometry to nine Hf atoms.

Publication Date:
Other Number(s):
mp-9952
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; Hf5ZnSb3; Hf-Sb-Zn
OSTI Identifier:
1317024
DOI:
https://doi.org/10.17188/1317024

Citation Formats

The Materials Project. Materials Data on Hf5ZnSb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317024.
The Materials Project. Materials Data on Hf5ZnSb3 by Materials Project. United States. doi:https://doi.org/10.17188/1317024
The Materials Project. 2020. "Materials Data on Hf5ZnSb3 by Materials Project". United States. doi:https://doi.org/10.17188/1317024. https://www.osti.gov/servlets/purl/1317024. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1317024,
title = {Materials Data on Hf5ZnSb3 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf5ZnSb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to two equivalent Zn and five equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing HfZn2Sb5 pentagonal bipyramids. Both Hf–Zn bond lengths are 2.73 Å. There are a spread of Hf–Sb bond distances ranging from 2.95–3.06 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Sb atoms. All Hf–Sb bond lengths are 3.04 Å. Zn is bonded to six equivalent Hf atoms to form distorted face-sharing ZnHf6 octahedra. Sb is bonded in a 9-coordinate geometry to nine Hf atoms.},
doi = {10.17188/1317024},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}