DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ba(ZnSb)2 by Materials Project

Abstract

BaZn2Sb2 crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two BaZn2Sb2 sheets oriented in the (0, 0, 1) direction. Ba2+ is bonded in a distorted square co-planar geometry to four equivalent Sb3- atoms. All Ba–Sb bond lengths are 3.42 Å. Zn2+ is bonded to four Sb3- atoms to form a mixture of edge and corner-sharing ZnSb4 tetrahedra. There are two shorter (2.71 Å) and two longer (2.98 Å) Zn–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 4-coordinate geometry to four equivalent Zn2+ atoms. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Zn2+ atoms.

Publication Date:
Other Number(s):
mp-1228651
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; Ba(ZnSb)2; Ba-Sb-Zn
OSTI Identifier:
1652059
DOI:
https://doi.org/10.17188/1652059

Citation Formats

The Materials Project. Materials Data on Ba(ZnSb)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652059.
The Materials Project. Materials Data on Ba(ZnSb)2 by Materials Project. United States. doi:https://doi.org/10.17188/1652059
The Materials Project. 2020. "Materials Data on Ba(ZnSb)2 by Materials Project". United States. doi:https://doi.org/10.17188/1652059. https://www.osti.gov/servlets/purl/1652059. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1652059,
title = {Materials Data on Ba(ZnSb)2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaZn2Sb2 crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two BaZn2Sb2 sheets oriented in the (0, 0, 1) direction. Ba2+ is bonded in a distorted square co-planar geometry to four equivalent Sb3- atoms. All Ba–Sb bond lengths are 3.42 Å. Zn2+ is bonded to four Sb3- atoms to form a mixture of edge and corner-sharing ZnSb4 tetrahedra. There are two shorter (2.71 Å) and two longer (2.98 Å) Zn–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 4-coordinate geometry to four equivalent Zn2+ atoms. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Zn2+ atoms.},
doi = {10.17188/1652059},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}