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Title: Materials Data on Ce(InPt)2 by Materials Project

Abstract

CePt2In2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 1-coordinate geometry to five Pt and nine In atoms. There are a spread of Ce–Pt bond distances ranging from 2.92–3.23 Å. There are a spread of Ce–In bond distances ranging from 3.33–3.57 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of Ce–Pt bond distances ranging from 2.95–3.22 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to two equivalent Ce and six In atoms. There are four shorter (2.82 Å) and two longer (2.95 Å) Pt–In bond lengths. In the second Pt site, Pt is bonded in a 10-coordinate geometry to three Ce and five In atoms. There are a spread of Pt–In bond distances ranging from 2.87–2.96 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to four Ce and five In atoms. There are a spread of Pt–In bond distances ranging from 2.71–2.83 Å. In the fourth Pt site, Pt is bonded inmore » a 10-coordinate geometry to three equivalent Ce and three equivalent In atoms. There are two shorter (2.81 Å) and one longer (2.84 Å) Pt–In bond lengths. There are four inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Ce and four Pt atoms. In the second In site, In is bonded in a 4-coordinate geometry to three equivalent Ce and four Pt atoms. In the third In site, In is bonded in a 5-coordinate geometry to three equivalent Ce and five Pt atoms. In the fourth In site, In is bonded in a 6-coordinate geometry to one Ce and six Pt atoms.« less

Publication Date:
Other Number(s):
mp-602328
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; Ce(InPt)2; Ce-In-Pt
OSTI Identifier:
1268429
DOI:
10.17188/1268429

Citation Formats

The Materials Project. Materials Data on Ce(InPt)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268429.
The Materials Project. Materials Data on Ce(InPt)2 by Materials Project. United States. doi:10.17188/1268429.
The Materials Project. 2020. "Materials Data on Ce(InPt)2 by Materials Project". United States. doi:10.17188/1268429. https://www.osti.gov/servlets/purl/1268429. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1268429,
title = {Materials Data on Ce(InPt)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CePt2In2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 1-coordinate geometry to five Pt and nine In atoms. There are a spread of Ce–Pt bond distances ranging from 2.92–3.23 Å. There are a spread of Ce–In bond distances ranging from 3.33–3.57 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of Ce–Pt bond distances ranging from 2.95–3.22 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to two equivalent Ce and six In atoms. There are four shorter (2.82 Å) and two longer (2.95 Å) Pt–In bond lengths. In the second Pt site, Pt is bonded in a 10-coordinate geometry to three Ce and five In atoms. There are a spread of Pt–In bond distances ranging from 2.87–2.96 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to four Ce and five In atoms. There are a spread of Pt–In bond distances ranging from 2.71–2.83 Å. In the fourth Pt site, Pt is bonded in a 10-coordinate geometry to three equivalent Ce and three equivalent In atoms. There are two shorter (2.81 Å) and one longer (2.84 Å) Pt–In bond lengths. There are four inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Ce and four Pt atoms. In the second In site, In is bonded in a 4-coordinate geometry to three equivalent Ce and four Pt atoms. In the third In site, In is bonded in a 5-coordinate geometry to three equivalent Ce and five Pt atoms. In the fourth In site, In is bonded in a 6-coordinate geometry to one Ce and six Pt atoms.},
doi = {10.17188/1268429},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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