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Title: Materials Data on Zr5AgSb3 by Materials Project

Abstract

Zr5AgSb3 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 in a 6-coordinate geometry to two equivalent Zr and six equivalent Sb atoms. Both Zr–Zr bond lengths are 2.95 Å. All Zr–Sb bond lengths are 3.12 Å. In the second Zr site, Zr is bonded to two equivalent Ag and five equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing ZrAg2Sb5 pentagonal bipyramids. Both Zr–Ag bond lengths are 2.88 Å. There are three shorter (2.98 Å) and two longer (3.06 Å) Zr–Sb bond lengths. Ag is bonded to six equivalent Zr atoms to form distorted face-sharing AgZr6 octahedra. Sb is bonded in a 9-coordinate geometry to nine Zr atoms.

Publication Date:
Other Number(s):
mp-1190110
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; Zr5AgSb3; Ag-Sb-Zr
OSTI Identifier:
1676795
DOI:
https://doi.org/10.17188/1676795

Citation Formats

The Materials Project. Materials Data on Zr5AgSb3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1676795.
The Materials Project. Materials Data on Zr5AgSb3 by Materials Project. United States. doi:https://doi.org/10.17188/1676795
The Materials Project. 2019. "Materials Data on Zr5AgSb3 by Materials Project". United States. doi:https://doi.org/10.17188/1676795. https://www.osti.gov/servlets/purl/1676795. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1676795,
title = {Materials Data on Zr5AgSb3 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr5AgSb3 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 in a 6-coordinate geometry to two equivalent Zr and six equivalent Sb atoms. Both Zr–Zr bond lengths are 2.95 Å. All Zr–Sb bond lengths are 3.12 Å. In the second Zr site, Zr is bonded to two equivalent Ag and five equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing ZrAg2Sb5 pentagonal bipyramids. Both Zr–Ag bond lengths are 2.88 Å. There are three shorter (2.98 Å) and two longer (3.06 Å) Zr–Sb bond lengths. Ag is bonded to six equivalent Zr atoms to form distorted face-sharing AgZr6 octahedra. Sb is bonded in a 9-coordinate geometry to nine Zr atoms.},
doi = {10.17188/1676795},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}