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Title: Materials Data on CeBPt3 by Materials Project

Abstract

CePt3B is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Ce3+ is bonded in a 12-coordinate geometry to twelve Pt2- atoms. There are a spread of Ce–Pt bond distances ranging from 2.91–3.43 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted bent 120 degrees geometry to four equivalent Ce3+ and two equivalent B3+ atoms. Both Pt–B bond lengths are 2.24 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to four equivalent Ce3+ and one B3+ atom. The Pt–B bond length is 2.13 Å. B3+ is bonded in a 5-coordinate geometry to five Pt2- atoms.

Publication Date:
Other Number(s):
mp-22435
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; CeBPt3; B-Ce-Pt
OSTI Identifier:
1197647
DOI:
https://doi.org/10.17188/1197647

Citation Formats

The Materials Project. Materials Data on CeBPt3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197647.
The Materials Project. Materials Data on CeBPt3 by Materials Project. United States. doi:https://doi.org/10.17188/1197647
The Materials Project. 2020. "Materials Data on CeBPt3 by Materials Project". United States. doi:https://doi.org/10.17188/1197647. https://www.osti.gov/servlets/purl/1197647. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1197647,
title = {Materials Data on CeBPt3 by Materials Project},
author = {The Materials Project},
abstractNote = {CePt3B is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Ce3+ is bonded in a 12-coordinate geometry to twelve Pt2- atoms. There are a spread of Ce–Pt bond distances ranging from 2.91–3.43 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted bent 120 degrees geometry to four equivalent Ce3+ and two equivalent B3+ atoms. Both Pt–B bond lengths are 2.24 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to four equivalent Ce3+ and one B3+ atom. The Pt–B bond length is 2.13 Å. B3+ is bonded in a 5-coordinate geometry to five Pt2- atoms.},
doi = {10.17188/1197647},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}