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Title: Materials Data on Ce4Zn3Sb8 by Materials Project

Abstract

Ce4Zn3Sb8 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are four shorter (3.28 Å) and four longer (3.33 Å) Ce–Sb bond lengths. In the second Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are a spread of Ce–Sb bond distances ranging from 3.26–3.31 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four equivalent Sb+2.25- atoms to form a mixture of edge and corner-sharing ZnSb4 tetrahedra. All Zn–Sb bond lengths are 2.85 Å. In the second Zn2+ site, Zn2+ is bonded to four equivalent Sb+2.25- atoms to form corner-sharing ZnSb4 tetrahedra. All Zn–Sb bond lengths are 2.74 Å. There are four inequivalent Sb+2.25- sites. In the first Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Zn2+ atoms. In the second Sb+2.25- site, Sb+2.25- is bonded in a 6-coordinate geometry to four equivalent Ce3+ and two equivalent Zn2+ atoms. In the third Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four Ce3+more » and four equivalent Sb+2.25- atoms. All Sb–Sb bond lengths are 3.16 Å. In the fourth Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four Ce3+ and four equivalent Sb+2.25- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1226943
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; Ce4Zn3Sb8; Ce-Sb-Zn
OSTI Identifier:
1672290
DOI:
https://doi.org/10.17188/1672290

Citation Formats

The Materials Project. Materials Data on Ce4Zn3Sb8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672290.
The Materials Project. Materials Data on Ce4Zn3Sb8 by Materials Project. United States. doi:https://doi.org/10.17188/1672290
The Materials Project. 2020. "Materials Data on Ce4Zn3Sb8 by Materials Project". United States. doi:https://doi.org/10.17188/1672290. https://www.osti.gov/servlets/purl/1672290. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1672290,
title = {Materials Data on Ce4Zn3Sb8 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce4Zn3Sb8 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are four shorter (3.28 Å) and four longer (3.33 Å) Ce–Sb bond lengths. In the second Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are a spread of Ce–Sb bond distances ranging from 3.26–3.31 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four equivalent Sb+2.25- atoms to form a mixture of edge and corner-sharing ZnSb4 tetrahedra. All Zn–Sb bond lengths are 2.85 Å. In the second Zn2+ site, Zn2+ is bonded to four equivalent Sb+2.25- atoms to form corner-sharing ZnSb4 tetrahedra. All Zn–Sb bond lengths are 2.74 Å. There are four inequivalent Sb+2.25- sites. In the first Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Zn2+ atoms. In the second Sb+2.25- site, Sb+2.25- is bonded in a 6-coordinate geometry to four equivalent Ce3+ and two equivalent Zn2+ atoms. In the third Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four Ce3+ and four equivalent Sb+2.25- atoms. All Sb–Sb bond lengths are 3.16 Å. In the fourth Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four Ce3+ and four equivalent Sb+2.25- atoms.},
doi = {10.17188/1672290},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}