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Title: Materials Data on ZrSb2 by Materials Project

Abstract

ZrSb2 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are a spread of Zr–Sb bond distances ranging from 3.02–3.07 Å. In the second Zr4+ site, Zr4+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Zr–Sb bond distances ranging from 2.96–3.50 Å. There are four inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 6-coordinate geometry to three Zr4+ and three Sb2- atoms. There are one shorter (2.94 Å) and two longer (3.11 Å) Sb–Sb bond lengths. In the second Sb2- site, Sb2- is bonded in a 3-coordinate geometry to four Zr4+ atoms. In the third Sb2- site, Sb2- is bonded in a 4-coordinate geometry to four Zr4+ and two equivalent Sb2- atoms. In the fourth Sb2- site, Sb2- is bonded in a 6-coordinate geometry to six Zr4+ atoms.

Publication Date:
Other Number(s):
mp-979
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; ZrSb2; Sb-Zr
OSTI Identifier:
1316067
DOI:
10.17188/1316067

Citation Formats

The Materials Project. Materials Data on ZrSb2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316067.
The Materials Project. Materials Data on ZrSb2 by Materials Project. United States. doi:10.17188/1316067.
The Materials Project. 2020. "Materials Data on ZrSb2 by Materials Project". United States. doi:10.17188/1316067. https://www.osti.gov/servlets/purl/1316067. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316067,
title = {Materials Data on ZrSb2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrSb2 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are a spread of Zr–Sb bond distances ranging from 3.02–3.07 Å. In the second Zr4+ site, Zr4+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Zr–Sb bond distances ranging from 2.96–3.50 Å. There are four inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 6-coordinate geometry to three Zr4+ and three Sb2- atoms. There are one shorter (2.94 Å) and two longer (3.11 Å) Sb–Sb bond lengths. In the second Sb2- site, Sb2- is bonded in a 3-coordinate geometry to four Zr4+ atoms. In the third Sb2- site, Sb2- is bonded in a 4-coordinate geometry to four Zr4+ and two equivalent Sb2- atoms. In the fourth Sb2- site, Sb2- is bonded in a 6-coordinate geometry to six Zr4+ atoms.},
doi = {10.17188/1316067},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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