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Title: Materials Data on CeSbPt5 by Materials Project

Abstract

CePt5Sb crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to twelve Pt+1.20- atoms to form CePt12 cuboctahedra that share corners with six equivalent CePt12 cuboctahedra, edges with six equivalent CePt12 cuboctahedra, and edges with six equivalent SbPt4 tetrahedra. There are six shorter (3.18 Å) and six longer (3.33 Å) Ce–Pt bond lengths. In the second Ce3+ site, Ce3+ is bonded to twelve Pt+1.20- atoms to form distorted CePt12 cuboctahedra that share corners with six equivalent CePt12 cuboctahedra, edges with six equivalent CePt12 cuboctahedra, and faces with two equivalent SbPt4 tetrahedra. There are six shorter (3.12 Å) and six longer (3.35 Å) Ce–Pt bond lengths. There are three inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a 1-coordinate geometry to two Ce3+ and one Sb3+ atom. The Pt–Sb bond length is 2.64 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to three equivalent Ce3+ and one Sb3+ atom. The Pt–Sb bond length is 2.54 Å. In the third Pt+1.20- site, Pt+1.20- is bonded in a 3-coordinate geometry to three equivalent Ce3+ atoms. Sb3+ is bondedmore » to four Pt+1.20- atoms to form distorted SbPt4 tetrahedra that share edges with three equivalent CePt12 cuboctahedra and a faceface with one CePt12 cuboctahedra.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1104316
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; CeSbPt5; Ce-Pt-Sb
OSTI Identifier:
1672221
DOI:
10.17188/1672221

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CeSbPt5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672221.
Persson, Kristin, & Project, Materials. Materials Data on CeSbPt5 by Materials Project. United States. doi:10.17188/1672221.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CeSbPt5 by Materials Project". United States. doi:10.17188/1672221. https://www.osti.gov/servlets/purl/1672221. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1672221,
title = {Materials Data on CeSbPt5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CePt5Sb crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to twelve Pt+1.20- atoms to form CePt12 cuboctahedra that share corners with six equivalent CePt12 cuboctahedra, edges with six equivalent CePt12 cuboctahedra, and edges with six equivalent SbPt4 tetrahedra. There are six shorter (3.18 Å) and six longer (3.33 Å) Ce–Pt bond lengths. In the second Ce3+ site, Ce3+ is bonded to twelve Pt+1.20- atoms to form distorted CePt12 cuboctahedra that share corners with six equivalent CePt12 cuboctahedra, edges with six equivalent CePt12 cuboctahedra, and faces with two equivalent SbPt4 tetrahedra. There are six shorter (3.12 Å) and six longer (3.35 Å) Ce–Pt bond lengths. There are three inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a 1-coordinate geometry to two Ce3+ and one Sb3+ atom. The Pt–Sb bond length is 2.64 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to three equivalent Ce3+ and one Sb3+ atom. The Pt–Sb bond length is 2.54 Å. In the third Pt+1.20- site, Pt+1.20- is bonded in a 3-coordinate geometry to three equivalent Ce3+ atoms. Sb3+ is bonded to four Pt+1.20- atoms to form distorted SbPt4 tetrahedra that share edges with three equivalent CePt12 cuboctahedra and a faceface with one CePt12 cuboctahedra.},
doi = {10.17188/1672221},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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