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Title: Materials Data on Ce3Al3Pd2Pt by Materials Project

Abstract

Ce3PtPd2Al3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are twelve inequivalent Ce sites. In the first Ce site, Ce is bonded in a 1-coordinate geometry to one Pt, four Pd, and six Al atoms. The Ce–Pt bond length is 2.93 Å. There are two shorter (3.05 Å) and two longer (3.22 Å) Ce–Pd bond lengths. There are a spread of Ce–Al bond distances ranging from 3.15–3.38 Å. In the second Ce site, Ce is bonded in a 1-coordinate geometry to one Pt, four Pd, and six Al atoms. The Ce–Pt bond length is 2.91 Å. There are two shorter (3.05 Å) and two longer (3.23 Å) Ce–Pd bond lengths. There are a spread of Ce–Al bond distances ranging from 3.15–3.38 Å. In the third Ce site, Ce is bonded in a 1-coordinate geometry to one Pt, four Pd, and six Al atoms. The Ce–Pt bond length is 2.92 Å. There are two shorter (3.05 Å) and two longer (3.23 Å) Ce–Pd bond lengths. There are a spread of Ce–Al bond distances ranging from 3.15–3.38 Å. In the fourth Ce site, Ce is bonded in a 1-coordinate geometry to one Pt, four Pd, and six Almore » atoms. The Ce–Pt bond length is 2.90 Å. There are two shorter (3.06 Å) and two longer (3.23 Å) Ce–Pd bond lengths. There are a spread of Ce–Al bond distances ranging from 3.16–3.40 Å. In the fifth Ce site, Ce is bonded in a 1-coordinate geometry to five Pd and six Al atoms. There are a spread of Ce–Pd bond distances ranging from 2.90–3.24 Å. There are a spread of Ce–Al bond distances ranging from 3.16–3.39 Å. In the sixth Ce site, Ce is bonded in a 1-coordinate geometry to five Pd and six Al atoms. There are a spread of Ce–Pd bond distances ranging from 2.90–3.24 Å. There are a spread of Ce–Al bond distances ranging from 3.16–3.38 Å. In the seventh Ce site, Ce is bonded in a 1-coordinate geometry to four Pt, one Pd, and six Al atoms. There are two shorter (3.08 Å) and two longer (3.20 Å) Ce–Pt bond lengths. The Ce–Pd bond length is 2.92 Å. There are a spread of Ce–Al bond distances ranging from 3.14–3.34 Å. In the eighth Ce site, Ce is bonded in a 1-coordinate geometry to two equivalent Pt, three Pd, and six Al atoms. Both Ce–Pt bond lengths are 3.19 Å. There are one shorter (2.92 Å) and two longer (3.07 Å) Ce–Pd bond lengths. There are a spread of Ce–Al bond distances ranging from 3.15–3.35 Å. In the ninth Ce site, Ce is bonded in a 1-coordinate geometry to two equivalent Pt, three Pd, and six Al atoms. Both Ce–Pt bond lengths are 3.18 Å. There are one shorter (2.93 Å) and two longer (3.07 Å) Ce–Pd bond lengths. There are a spread of Ce–Al bond distances ranging from 3.15–3.35 Å. In the tenth Ce site, Ce is bonded in a 1-coordinate geometry to four Pt, one Pd, and six Al atoms. There are two shorter (3.09 Å) and two longer (3.21 Å) Ce–Pt bond lengths. The Ce–Pd bond length is 2.91 Å. There are a spread of Ce–Al bond distances ranging from 3.15–3.34 Å. In the eleventh Ce site, Ce is bonded in a 1-coordinate geometry to two equivalent Pt, three Pd, and six Al atoms. Both Ce–Pt bond lengths are 3.07 Å. There are one shorter (2.90 Å) and two longer (3.24 Å) Ce–Pd bond lengths. There are a spread of Ce–Al bond distances ranging from 3.15–3.38 Å. In the twelfth Ce site, Ce is bonded in a 1-coordinate geometry to two equivalent Pt, three Pd, and six Al atoms. Both Ce–Pt bond lengths are 3.07 Å. There are one shorter (2.89 Å) and two longer (3.24 Å) Ce–Pd bond lengths. There are a spread of Ce–Al bond distances ranging from 3.15–3.37 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are one shorter (2.64 Å) and three longer (2.66 Å) Pt–Al bond lengths. In the second Pt site, Pt is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pt–Al bond distances ranging from 2.64–2.67 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pt–Al bond distances ranging from 2.64–2.66 Å. In the fourth Pt site, Pt is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pt–Al bond distances ranging from 2.65–2.67 Å. There are eight inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pd–Al bond distances ranging from 2.64–2.70 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pd–Al bond distances ranging from 2.65–2.69 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pd–Al bond distances ranging from 2.65–2.70 Å. In the fourth Pd site, Pd is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pd–Al bond distances ranging from 2.65–2.69 Å. In the fifth Pd site, Pd is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pd–Al bond distances ranging from 2.64–2.69 Å. In the sixth Pd site, Pd is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pd–Al bond distances ranging from 2.65–2.70 Å. In the seventh Pd site, Pd is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pd–Al bond distances ranging from 2.64–2.70 Å. In the eighth Pd site, Pd is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pd–Al bond distances ranging from 2.64–2.69 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to six Ce, two Pt, and two equivalent Pd atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to six Ce, one Pt, and three Pd atoms. In the third Al site, Al is bonded in a 4-coordinate geometry to six Ce, one Pt, and three Pd atoms. In the fourth Al site, Al is bonded to six Ce, two Pt, and two equivalent Pd atoms to form distorted face-sharing AlCe6Pd2Pt2 tetrahedra. In the fifth Al site, Al is bonded to six Ce, one Pt, and three Pd atoms to form distorted face-sharing AlCe6Pd3Pt tetrahedra. In the sixth Al site, Al is bonded to six Ce, one Pt, and three Pd atoms to form distorted face-sharing AlCe6Pd3Pt tetrahedra. In the seventh Al site, Al is bonded in a 4-coordinate geometry to six Ce, two equivalent Pt, and two Pd atoms. In the eighth Al site, Al is bonded in a 4-coordinate geometry to six Ce and four Pd atoms. In the ninth Al site, Al is bonded in a 4-coordinate geometry to six Ce and four Pd atoms. In the tenth Al site, Al is bonded in a 4-coordinate geometry to six Ce, two equivalent Pt, and two Pd atoms. In the eleventh Al site, Al is bonded in a 4-coordinate geometry to six Ce, two equivalent Pt, and two Pd atoms. In the twelfth Al site, Al is bonded in a 4-coordinate geometry to six Ce, two equivalent Pt, and two Pd atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1229297
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; Ce3Al3Pd2Pt; Al-Ce-Pd-Pt
OSTI Identifier:
1751737
DOI:
https://doi.org/10.17188/1751737

Citation Formats

The Materials Project. Materials Data on Ce3Al3Pd2Pt by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1751737.
The Materials Project. Materials Data on Ce3Al3Pd2Pt by Materials Project. United States. doi:https://doi.org/10.17188/1751737
The Materials Project. 2019. "Materials Data on Ce3Al3Pd2Pt by Materials Project". United States. doi:https://doi.org/10.17188/1751737. https://www.osti.gov/servlets/purl/1751737. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1751737,
title = {Materials Data on Ce3Al3Pd2Pt by Materials Project},
author = {The Materials Project},
abstractNote = {Ce3PtPd2Al3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are twelve inequivalent Ce sites. In the first Ce site, Ce is bonded in a 1-coordinate geometry to one Pt, four Pd, and six Al atoms. The Ce–Pt bond length is 2.93 Å. There are two shorter (3.05 Å) and two longer (3.22 Å) Ce–Pd bond lengths. There are a spread of Ce–Al bond distances ranging from 3.15–3.38 Å. In the second Ce site, Ce is bonded in a 1-coordinate geometry to one Pt, four Pd, and six Al atoms. The Ce–Pt bond length is 2.91 Å. There are two shorter (3.05 Å) and two longer (3.23 Å) Ce–Pd bond lengths. There are a spread of Ce–Al bond distances ranging from 3.15–3.38 Å. In the third Ce site, Ce is bonded in a 1-coordinate geometry to one Pt, four Pd, and six Al atoms. The Ce–Pt bond length is 2.92 Å. There are two shorter (3.05 Å) and two longer (3.23 Å) Ce–Pd bond lengths. There are a spread of Ce–Al bond distances ranging from 3.15–3.38 Å. In the fourth Ce site, Ce is bonded in a 1-coordinate geometry to one Pt, four Pd, and six Al atoms. The Ce–Pt bond length is 2.90 Å. There are two shorter (3.06 Å) and two longer (3.23 Å) Ce–Pd bond lengths. There are a spread of Ce–Al bond distances ranging from 3.16–3.40 Å. In the fifth Ce site, Ce is bonded in a 1-coordinate geometry to five Pd and six Al atoms. There are a spread of Ce–Pd bond distances ranging from 2.90–3.24 Å. There are a spread of Ce–Al bond distances ranging from 3.16–3.39 Å. In the sixth Ce site, Ce is bonded in a 1-coordinate geometry to five Pd and six Al atoms. There are a spread of Ce–Pd bond distances ranging from 2.90–3.24 Å. There are a spread of Ce–Al bond distances ranging from 3.16–3.38 Å. In the seventh Ce site, Ce is bonded in a 1-coordinate geometry to four Pt, one Pd, and six Al atoms. There are two shorter (3.08 Å) and two longer (3.20 Å) Ce–Pt bond lengths. The Ce–Pd bond length is 2.92 Å. There are a spread of Ce–Al bond distances ranging from 3.14–3.34 Å. In the eighth Ce site, Ce is bonded in a 1-coordinate geometry to two equivalent Pt, three Pd, and six Al atoms. Both Ce–Pt bond lengths are 3.19 Å. There are one shorter (2.92 Å) and two longer (3.07 Å) Ce–Pd bond lengths. There are a spread of Ce–Al bond distances ranging from 3.15–3.35 Å. In the ninth Ce site, Ce is bonded in a 1-coordinate geometry to two equivalent Pt, three Pd, and six Al atoms. Both Ce–Pt bond lengths are 3.18 Å. There are one shorter (2.93 Å) and two longer (3.07 Å) Ce–Pd bond lengths. There are a spread of Ce–Al bond distances ranging from 3.15–3.35 Å. In the tenth Ce site, Ce is bonded in a 1-coordinate geometry to four Pt, one Pd, and six Al atoms. There are two shorter (3.09 Å) and two longer (3.21 Å) Ce–Pt bond lengths. The Ce–Pd bond length is 2.91 Å. There are a spread of Ce–Al bond distances ranging from 3.15–3.34 Å. In the eleventh Ce site, Ce is bonded in a 1-coordinate geometry to two equivalent Pt, three Pd, and six Al atoms. Both Ce–Pt bond lengths are 3.07 Å. There are one shorter (2.90 Å) and two longer (3.24 Å) Ce–Pd bond lengths. There are a spread of Ce–Al bond distances ranging from 3.15–3.38 Å. In the twelfth Ce site, Ce is bonded in a 1-coordinate geometry to two equivalent Pt, three Pd, and six Al atoms. Both Ce–Pt bond lengths are 3.07 Å. There are one shorter (2.89 Å) and two longer (3.24 Å) Ce–Pd bond lengths. There are a spread of Ce–Al bond distances ranging from 3.15–3.37 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are one shorter (2.64 Å) and three longer (2.66 Å) Pt–Al bond lengths. In the second Pt site, Pt is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pt–Al bond distances ranging from 2.64–2.67 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pt–Al bond distances ranging from 2.64–2.66 Å. In the fourth Pt site, Pt is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pt–Al bond distances ranging from 2.65–2.67 Å. There are eight inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pd–Al bond distances ranging from 2.64–2.70 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pd–Al bond distances ranging from 2.65–2.69 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pd–Al bond distances ranging from 2.65–2.70 Å. In the fourth Pd site, Pd is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pd–Al bond distances ranging from 2.65–2.69 Å. In the fifth Pd site, Pd is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pd–Al bond distances ranging from 2.64–2.69 Å. In the sixth Pd site, Pd is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pd–Al bond distances ranging from 2.65–2.70 Å. In the seventh Pd site, Pd is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pd–Al bond distances ranging from 2.64–2.70 Å. In the eighth Pd site, Pd is bonded in a 9-coordinate geometry to five Ce and four Al atoms. There are a spread of Pd–Al bond distances ranging from 2.64–2.69 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to six Ce, two Pt, and two equivalent Pd atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to six Ce, one Pt, and three Pd atoms. In the third Al site, Al is bonded in a 4-coordinate geometry to six Ce, one Pt, and three Pd atoms. In the fourth Al site, Al is bonded to six Ce, two Pt, and two equivalent Pd atoms to form distorted face-sharing AlCe6Pd2Pt2 tetrahedra. In the fifth Al site, Al is bonded to six Ce, one Pt, and three Pd atoms to form distorted face-sharing AlCe6Pd3Pt tetrahedra. In the sixth Al site, Al is bonded to six Ce, one Pt, and three Pd atoms to form distorted face-sharing AlCe6Pd3Pt tetrahedra. In the seventh Al site, Al is bonded in a 4-coordinate geometry to six Ce, two equivalent Pt, and two Pd atoms. In the eighth Al site, Al is bonded in a 4-coordinate geometry to six Ce and four Pd atoms. In the ninth Al site, Al is bonded in a 4-coordinate geometry to six Ce and four Pd atoms. In the tenth Al site, Al is bonded in a 4-coordinate geometry to six Ce, two equivalent Pt, and two Pd atoms. In the eleventh Al site, Al is bonded in a 4-coordinate geometry to six Ce, two equivalent Pt, and two Pd atoms. In the twelfth Al site, Al is bonded in a 4-coordinate geometry to six Ce, two equivalent Pt, and two Pd atoms.},
doi = {10.17188/1751737},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}