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Title: Materials Data on Er5SbPd2 by Materials Project

Abstract

Er5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted ErSb2Pd4 octahedra that share corners with six equivalent ErSb2Pd4 octahedra, corners with sixteen equivalent ErSb2Pd3 trigonal bipyramids, and faces with eight equivalent ErSb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Er–Pd bond lengths are 2.98 Å. Both Er–Sb bond lengths are 3.41 Å. In the second Er site, Er is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted ErSb2Pd3 trigonal bipyramids that share corners with four equivalent ErSb2Pd4 octahedra, corners with twelve equivalent ErSb2Pd3 trigonal bipyramids, edges with seven equivalent ErSb2Pd3 trigonal bipyramids, faces with two equivalent ErSb2Pd4 octahedra, and a faceface with one ErSb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 44–63°. There are one shorter (2.97 Å) and two longer (2.98 Å) Er–Pd bond lengths. Both Er–Sb bond lengths are 3.25 Å. Pd is bonded in a 8-coordinate geometry to eight Er atoms. Sb is bonded in a 10-coordinate geometry to ten Er atoms.

Authors:
Publication Date:
Other Number(s):
mp-1213250
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Er5SbPd2; Er-Pd-Sb
OSTI Identifier:
1719647
DOI:
https://doi.org/10.17188/1719647

Citation Formats

The Materials Project. Materials Data on Er5SbPd2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1719647.
The Materials Project. Materials Data on Er5SbPd2 by Materials Project. United States. doi:https://doi.org/10.17188/1719647
The Materials Project. 2020. "Materials Data on Er5SbPd2 by Materials Project". United States. doi:https://doi.org/10.17188/1719647. https://www.osti.gov/servlets/purl/1719647. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1719647,
title = {Materials Data on Er5SbPd2 by Materials Project},
author = {The Materials Project},
abstractNote = {Er5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted ErSb2Pd4 octahedra that share corners with six equivalent ErSb2Pd4 octahedra, corners with sixteen equivalent ErSb2Pd3 trigonal bipyramids, and faces with eight equivalent ErSb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Er–Pd bond lengths are 2.98 Å. Both Er–Sb bond lengths are 3.41 Å. In the second Er site, Er is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted ErSb2Pd3 trigonal bipyramids that share corners with four equivalent ErSb2Pd4 octahedra, corners with twelve equivalent ErSb2Pd3 trigonal bipyramids, edges with seven equivalent ErSb2Pd3 trigonal bipyramids, faces with two equivalent ErSb2Pd4 octahedra, and a faceface with one ErSb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 44–63°. There are one shorter (2.97 Å) and two longer (2.98 Å) Er–Pd bond lengths. Both Er–Sb bond lengths are 3.25 Å. Pd is bonded in a 8-coordinate geometry to eight Er atoms. Sb is bonded in a 10-coordinate geometry to ten Er atoms.},
doi = {10.17188/1719647},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}