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Title: Materials Data on Ce3Sb3Au2 by Materials Project

Abstract

Ce3Au2Sb3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to six Sb3- atoms to form a mixture of corner and edge-sharing CeSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.22 Å) and three longer (3.27 Å) Ce–Sb bond lengths. In the second Ce3+ site, Ce3+ is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Sb3- atoms. All Ce–Au bond lengths are 3.08 Å. All Ce–Sb bond lengths are 3.54 Å. Au is bonded in a 6-coordinate geometry to three equivalent Ce3+ and three equivalent Sb3- atoms. All Au–Sb bond lengths are 2.81 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 6-coordinate geometry to six Ce3+ and three equivalent Au atoms. In the second Sb3- site, Sb3- is bonded to six equivalent Ce3+ atoms to form edge-sharing SbCe6 octahedra.

Publication Date:
Other Number(s):
mp-569941
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; Ce3Sb3Au2; Au-Ce-Sb
OSTI Identifier:
1275383
DOI:
10.17188/1275383

Citation Formats

The Materials Project. Materials Data on Ce3Sb3Au2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275383.
The Materials Project. Materials Data on Ce3Sb3Au2 by Materials Project. United States. doi:10.17188/1275383.
The Materials Project. 2020. "Materials Data on Ce3Sb3Au2 by Materials Project". United States. doi:10.17188/1275383. https://www.osti.gov/servlets/purl/1275383. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275383,
title = {Materials Data on Ce3Sb3Au2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce3Au2Sb3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to six Sb3- atoms to form a mixture of corner and edge-sharing CeSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.22 Å) and three longer (3.27 Å) Ce–Sb bond lengths. In the second Ce3+ site, Ce3+ is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Sb3- atoms. All Ce–Au bond lengths are 3.08 Å. All Ce–Sb bond lengths are 3.54 Å. Au is bonded in a 6-coordinate geometry to three equivalent Ce3+ and three equivalent Sb3- atoms. All Au–Sb bond lengths are 2.81 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 6-coordinate geometry to six Ce3+ and three equivalent Au atoms. In the second Sb3- site, Sb3- is bonded to six equivalent Ce3+ atoms to form edge-sharing SbCe6 octahedra.},
doi = {10.17188/1275383},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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