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

Title: Materials Data on Zr2Sb3Pd by Materials Project

Abstract

Zr2PdSb3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Zr+3.50+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Zr–Sb bond distances ranging from 3.00–3.11 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Pd–Sb bond lengths are 2.80 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 5-coordinate geometry to five equivalent Zr+3.50+ atoms. In the second Sb3- site, Sb3- is bonded to four equivalent Zr+3.50+ and four equivalent Pd2+ atoms to form a mixture of distorted face and corner-sharing SbZr4Pd4 hexagonal bipyramids.

Publication Date:
Other Number(s):
mp-1071230
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; Zr2Sb3Pd; Pd-Sb-Zr
OSTI Identifier:
1757622
DOI:
https://doi.org/10.17188/1757622

Citation Formats

The Materials Project. Materials Data on Zr2Sb3Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757622.
The Materials Project. Materials Data on Zr2Sb3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1757622
The Materials Project. 2020. "Materials Data on Zr2Sb3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1757622. https://www.osti.gov/servlets/purl/1757622. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757622,
title = {Materials Data on Zr2Sb3Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Zr2PdSb3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Zr+3.50+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Zr–Sb bond distances ranging from 3.00–3.11 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Pd–Sb bond lengths are 2.80 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 5-coordinate geometry to five equivalent Zr+3.50+ atoms. In the second Sb3- site, Sb3- is bonded to four equivalent Zr+3.50+ and four equivalent Pd2+ atoms to form a mixture of distorted face and corner-sharing SbZr4Pd4 hexagonal bipyramids.},
doi = {10.17188/1757622},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}