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Title: Materials Data on Ce2SbAu3 by Materials Project

Abstract

Ce2Au3Sb crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to ten Au1- and two equivalent Sb3- atoms to form a mixture of edge and face-sharing CeSb2Au10 cuboctahedra. There are a spread of Ce–Au bond distances ranging from 3.21–3.36 Å. Both Ce–Sb bond lengths are 3.46 Å. In the second Ce3+ site, Ce3+ is bonded to eight Au1- and four equivalent Sb3- atoms to form a mixture of edge and face-sharing CeSb4Au8 cuboctahedra. There are a spread of Ce–Au bond distances ranging from 3.21–3.50 Å. All Ce–Sb bond lengths are 3.38 Å. There are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 9-coordinate geometry to six Ce3+ and three Au1- atoms. There are one shorter (2.77 Å) and two longer (2.78 Å) Au–Au bond lengths. In the second Au1- site, Au1- is bonded in a 2-coordinate geometry to six Ce3+, one Au1-, and two equivalent Sb3- atoms. Both Au–Sb bond lengths are 2.80 Å. In the third Au1- site, Au1- is bonded in a 9-coordinate geometry to six Ce3+, two equivalent Au1-, and one Sb3- atom. The Au–Sbmore » bond length is 2.83 Å. Sb3- is bonded in a 3-coordinate geometry to six Ce3+ and three Au1- atoms.« less

Publication Date:
Other Number(s):
mp-1226895
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; Ce2SbAu3; Au-Ce-Sb
OSTI Identifier:
1686587
DOI:
https://doi.org/10.17188/1686587

Citation Formats

The Materials Project. Materials Data on Ce2SbAu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686587.
The Materials Project. Materials Data on Ce2SbAu3 by Materials Project. United States. doi:https://doi.org/10.17188/1686587
The Materials Project. 2020. "Materials Data on Ce2SbAu3 by Materials Project". United States. doi:https://doi.org/10.17188/1686587. https://www.osti.gov/servlets/purl/1686587. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1686587,
title = {Materials Data on Ce2SbAu3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2Au3Sb crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to ten Au1- and two equivalent Sb3- atoms to form a mixture of edge and face-sharing CeSb2Au10 cuboctahedra. There are a spread of Ce–Au bond distances ranging from 3.21–3.36 Å. Both Ce–Sb bond lengths are 3.46 Å. In the second Ce3+ site, Ce3+ is bonded to eight Au1- and four equivalent Sb3- atoms to form a mixture of edge and face-sharing CeSb4Au8 cuboctahedra. There are a spread of Ce–Au bond distances ranging from 3.21–3.50 Å. All Ce–Sb bond lengths are 3.38 Å. There are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 9-coordinate geometry to six Ce3+ and three Au1- atoms. There are one shorter (2.77 Å) and two longer (2.78 Å) Au–Au bond lengths. In the second Au1- site, Au1- is bonded in a 2-coordinate geometry to six Ce3+, one Au1-, and two equivalent Sb3- atoms. Both Au–Sb bond lengths are 2.80 Å. In the third Au1- site, Au1- is bonded in a 9-coordinate geometry to six Ce3+, two equivalent Au1-, and one Sb3- atom. The Au–Sb bond length is 2.83 Å. Sb3- is bonded in a 3-coordinate geometry to six Ce3+ and three Au1- atoms.},
doi = {10.17188/1686587},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}