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Title: Materials Data on Ce6In14Pt11 by Materials Project

Abstract

Ce6Pt11In14 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Ce sites. In the first Ce site, Ce is bonded in a 4-coordinate geometry to two equivalent Ce, six Pt, and seven In atoms. There are one shorter (3.50 Å) and one longer (3.51 Å) Ce–Ce bond lengths. There are a spread of Ce–Pt bond distances ranging from 3.09–3.48 Å. There are a spread of Ce–In bond distances ranging from 3.23–3.76 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to six Pt and one In atom. There are a spread of Ce–Pt bond distances ranging from 3.08–3.43 Å. The Ce–In bond length is 3.22 Å. In the third Ce site, Ce is bonded in a 1-coordinate geometry to five Pt and two equivalent In atoms. There are a spread of Ce–Pt bond distances ranging from 2.99–3.30 Å. There are one shorter (3.30 Å) and one longer (3.31 Å) Ce–In bond lengths. In the fourth 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 3.02–3.31 Å. There are a spread of Ce–In bondmore » distances ranging from 3.28–3.69 Å. In the fifth Ce site, Ce is bonded in a 4-coordinate geometry to two equivalent Ce and five Pt atoms. There are a spread of Ce–Pt bond distances ranging from 2.83–3.21 Å. In the sixth Ce site, Ce is bonded in a 4-coordinate geometry to five Pt atoms. There are a spread of Ce–Pt bond distances ranging from 2.82–3.25 Å. There are eleven inequivalent Pt sites. In the first 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 2.79–2.89 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pt–In bond distances ranging from 2.74–2.97 Å. In the third Pt site, Pt is bonded in a 10-coordinate geometry to two equivalent Ce, one Pt, and seven In atoms. The Pt–Pt bond length is 2.79 Å. There are a spread of Pt–In bond distances ranging from 2.77–3.02 Å. In the fourth Pt site, Pt is bonded in a 9-coordinate geometry to three Ce and six In atoms. There are a spread of Pt–In bond distances ranging from 2.83–2.98 Å. In the fifth Pt site, Pt is bonded in a 10-coordinate geometry to four Ce, two Pt, and four In atoms. The Pt–Pt bond length is 2.77 Å. There are a spread of Pt–In bond distances ranging from 2.87–3.08 Å. In the sixth 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 2.80–2.90 Å. In the seventh Pt site, Pt is bonded in a 10-coordinate geometry to two equivalent Ce, one Pt, and seven In atoms. The Pt–Pt bond length is 2.78 Å. There are a spread of Pt–In bond distances ranging from 2.78–2.99 Å. In the eighth Pt site, Pt is bonded in a 10-coordinate geometry to four Ce, two Pt, and four In atoms. The Pt–Pt bond length is 2.77 Å. There are a spread of Pt–In bond distances ranging from 2.87–3.10 Å. In the ninth Pt site, Pt is bonded in a 9-coordinate geometry to three Ce and six In atoms. There are a spread of Pt–In bond distances ranging from 2.82–2.96 Å. In the tenth Pt site, Pt is bonded in a 8-coordinate geometry to two Ce, two Pt, and four In atoms. There are a spread of Pt–In bond distances ranging from 2.76–2.78 Å. In the eleventh Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pt–In bond distances ranging from 2.73–2.95 Å. There are fourteen inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to one Ce and four Pt atoms. In the second In site, In is bonded in a 4-coordinate geometry to four Pt atoms. In the third In site, In is bonded in a 5-coordinate geometry to five Pt atoms. In the fourth In site, In is bonded in a 3-coordinate geometry to three Ce and five Pt atoms. In the fifth In site, In is bonded in a 12-coordinate geometry to three Ce and five Pt atoms. In the sixth In site, In is bonded in a 4-coordinate geometry to one Ce and four Pt atoms. In the seventh In site, In is bonded in a 12-coordinate geometry to five Pt atoms. In the eighth In site, In is bonded in a 3-coordinate geometry to three Ce and five Pt atoms. In the ninth In site, In is bonded in a 4-coordinate geometry to two equivalent Ce and four Pt atoms. In the tenth In site, In is bonded in a 5-coordinate geometry to two Ce and five Pt atoms. In the eleventh In site, In is bonded in a 4-coordinate geometry to two equivalent Ce and four Pt atoms. In the twelfth In site, In is bonded in a 4-coordinate geometry to four Pt atoms. In the thirteenth In site, In is bonded in a 4-coordinate geometry to one Ce and four Pt atoms. In the fourteenth In site, In is bonded in a 4-coordinate geometry to one Ce and four Pt atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-645893
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; Ce6In14Pt11; Ce-In-Pt
OSTI Identifier:
1280588
DOI:
10.17188/1280588

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce6In14Pt11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280588.
Persson, Kristin, & Project, Materials. Materials Data on Ce6In14Pt11 by Materials Project. United States. doi:10.17188/1280588.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ce6In14Pt11 by Materials Project". United States. doi:10.17188/1280588. https://www.osti.gov/servlets/purl/1280588. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1280588,
title = {Materials Data on Ce6In14Pt11 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ce6Pt11In14 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Ce sites. In the first Ce site, Ce is bonded in a 4-coordinate geometry to two equivalent Ce, six Pt, and seven In atoms. There are one shorter (3.50 Å) and one longer (3.51 Å) Ce–Ce bond lengths. There are a spread of Ce–Pt bond distances ranging from 3.09–3.48 Å. There are a spread of Ce–In bond distances ranging from 3.23–3.76 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to six Pt and one In atom. There are a spread of Ce–Pt bond distances ranging from 3.08–3.43 Å. The Ce–In bond length is 3.22 Å. In the third Ce site, Ce is bonded in a 1-coordinate geometry to five Pt and two equivalent In atoms. There are a spread of Ce–Pt bond distances ranging from 2.99–3.30 Å. There are one shorter (3.30 Å) and one longer (3.31 Å) Ce–In bond lengths. In the fourth 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 3.02–3.31 Å. There are a spread of Ce–In bond distances ranging from 3.28–3.69 Å. In the fifth Ce site, Ce is bonded in a 4-coordinate geometry to two equivalent Ce and five Pt atoms. There are a spread of Ce–Pt bond distances ranging from 2.83–3.21 Å. In the sixth Ce site, Ce is bonded in a 4-coordinate geometry to five Pt atoms. There are a spread of Ce–Pt bond distances ranging from 2.82–3.25 Å. There are eleven inequivalent Pt sites. In the first 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 2.79–2.89 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pt–In bond distances ranging from 2.74–2.97 Å. In the third Pt site, Pt is bonded in a 10-coordinate geometry to two equivalent Ce, one Pt, and seven In atoms. The Pt–Pt bond length is 2.79 Å. There are a spread of Pt–In bond distances ranging from 2.77–3.02 Å. In the fourth Pt site, Pt is bonded in a 9-coordinate geometry to three Ce and six In atoms. There are a spread of Pt–In bond distances ranging from 2.83–2.98 Å. In the fifth Pt site, Pt is bonded in a 10-coordinate geometry to four Ce, two Pt, and four In atoms. The Pt–Pt bond length is 2.77 Å. There are a spread of Pt–In bond distances ranging from 2.87–3.08 Å. In the sixth 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 2.80–2.90 Å. In the seventh Pt site, Pt is bonded in a 10-coordinate geometry to two equivalent Ce, one Pt, and seven In atoms. The Pt–Pt bond length is 2.78 Å. There are a spread of Pt–In bond distances ranging from 2.78–2.99 Å. In the eighth Pt site, Pt is bonded in a 10-coordinate geometry to four Ce, two Pt, and four In atoms. The Pt–Pt bond length is 2.77 Å. There are a spread of Pt–In bond distances ranging from 2.87–3.10 Å. In the ninth Pt site, Pt is bonded in a 9-coordinate geometry to three Ce and six In atoms. There are a spread of Pt–In bond distances ranging from 2.82–2.96 Å. In the tenth Pt site, Pt is bonded in a 8-coordinate geometry to two Ce, two Pt, and four In atoms. There are a spread of Pt–In bond distances ranging from 2.76–2.78 Å. In the eleventh Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pt–In bond distances ranging from 2.73–2.95 Å. There are fourteen inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to one Ce and four Pt atoms. In the second In site, In is bonded in a 4-coordinate geometry to four Pt atoms. In the third In site, In is bonded in a 5-coordinate geometry to five Pt atoms. In the fourth In site, In is bonded in a 3-coordinate geometry to three Ce and five Pt atoms. In the fifth In site, In is bonded in a 12-coordinate geometry to three Ce and five Pt atoms. In the sixth In site, In is bonded in a 4-coordinate geometry to one Ce and four Pt atoms. In the seventh In site, In is bonded in a 12-coordinate geometry to five Pt atoms. In the eighth In site, In is bonded in a 3-coordinate geometry to three Ce and five Pt atoms. In the ninth In site, In is bonded in a 4-coordinate geometry to two equivalent Ce and four Pt atoms. In the tenth In site, In is bonded in a 5-coordinate geometry to two Ce and five Pt atoms. In the eleventh In site, In is bonded in a 4-coordinate geometry to two equivalent Ce and four Pt atoms. In the twelfth In site, In is bonded in a 4-coordinate geometry to four Pt atoms. In the thirteenth In site, In is bonded in a 4-coordinate geometry to one Ce and four Pt atoms. In the fourteenth In site, In is bonded in a 4-coordinate geometry to one Ce and four Pt atoms.},
doi = {10.17188/1280588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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