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Title: Materials Data on Sb3Pd8 by Materials Project

Abstract

Pd8Sb3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are sixteen inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to nine Pd and four Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.87–3.22 Å. There are a spread of Pd–Sb bond distances ranging from 2.62–2.86 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to one Pd and four Sb atoms. The Pd–Pd bond length is 2.85 Å. There are a spread of Pd–Sb bond distances ranging from 2.63–2.90 Å. In the third Pd site, Pd is bonded in a 3-coordinate geometry to two Pd and three Sb atoms. There are one shorter (2.87 Å) and one longer (2.91 Å) Pd–Pd bond lengths. There are a spread of Pd–Sb bond distances ranging from 2.72–2.82 Å. In the fourth Pd site, Pd is bonded in a 4-coordinate geometry to nine Pd and four Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.86–3.38 Å. There are a spread of Pd–Sb bond distances ranging from 2.64–2.95 Å. In the fifth Pd site, Pd is bonded in a 11-coordinate geometry tomore » seven Pd and four Sb atoms. The Pd–Pd bond length is 2.77 Å. There are one shorter (2.68 Å) and three longer (2.83 Å) Pd–Sb bond lengths. In the sixth Pd site, Pd is bonded in a 4-coordinate geometry to two Pd and four Sb atoms. There are one shorter (2.87 Å) and one longer (3.05 Å) Pd–Pd bond lengths. There are a spread of Pd–Sb bond distances ranging from 2.64–2.85 Å. In the seventh Pd site, Pd is bonded in a 11-coordinate geometry to seven Pd and four Sb atoms. There are one shorter (2.81 Å) and three longer (2.96 Å) Pd–Pd bond lengths. There are one shorter (2.73 Å) and three longer (2.82 Å) Pd–Sb bond lengths. In the eighth Pd site, Pd is bonded in a 12-coordinate geometry to eight Pd and four Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.87–2.98 Å. There are a spread of Pd–Sb bond distances ranging from 2.73–3.32 Å. In the ninth Pd site, Pd is bonded in a 3-coordinate geometry to six Pd and three Sb atoms. The Pd–Pd bond length is 3.13 Å. There are a spread of Pd–Sb bond distances ranging from 2.68–2.79 Å. In the tenth Pd site, Pd is bonded in a 3-coordinate geometry to two Pd and three Sb atoms. There are one shorter (2.90 Å) and one longer (2.91 Å) Pd–Pd bond lengths. There are a spread of Pd–Sb bond distances ranging from 2.69–2.81 Å. In the eleventh Pd site, Pd is bonded in a 11-coordinate geometry to seven Pd and four Sb atoms. There are one shorter (2.66 Å) and three longer (2.81 Å) Pd–Sb bond lengths. In the twelfth Pd site, Pd is bonded in a 4-coordinate geometry to three equivalent Pd and four Sb atoms. There are one shorter (2.68 Å) and three longer (2.78 Å) Pd–Sb bond lengths. In the thirteenth Pd site, Pd is bonded in a 4-coordinate geometry to three equivalent Pd and four Sb atoms. There are one shorter (2.66 Å) and three longer (2.83 Å) Pd–Sb bond lengths. In the fourteenth Pd site, Pd is bonded in a 4-coordinate geometry to nine Pd and four Sb atoms. There are one shorter (2.74 Å) and three longer (2.81 Å) Pd–Sb bond lengths. In the fifteenth Pd site, Pd is bonded in a 11-coordinate geometry to seven Pd and four Sb atoms. There are one shorter (2.65 Å) and three longer (2.82 Å) Pd–Sb bond lengths. In the sixteenth Pd site, Pd is bonded in a 4-coordinate geometry to six Pd and four Sb atoms. All Pd–Sb bond lengths are 2.77 Å. There are eight inequivalent Sb sites. In the first Sb site, Sb is bonded in a distorted q6 geometry to ten Pd atoms. In the second Sb site, Sb is bonded in a body-centered cubic geometry to eight Pd atoms. In the third Sb site, Sb is bonded in a body-centered cubic geometry to eight Pd atoms. In the fourth Sb site, Sb is bonded in a 12-coordinate geometry to eleven Pd atoms. In the fifth Sb site, Sb is bonded in a 10-coordinate geometry to ten Pd atoms. In the sixth Sb site, Sb is bonded in a distorted q6 geometry to ten Pd atoms. In the seventh Sb site, Sb is bonded in a distorted q6 geometry to ten Pd atoms. In the eighth Sb site, Sb is bonded in a distorted q6 geometry to ten Pd atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-680057
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; Sb3Pd8; Pd-Sb
OSTI Identifier:
1283489
DOI:
https://doi.org/10.17188/1283489

Citation Formats

The Materials Project. Materials Data on Sb3Pd8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283489.
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The Materials Project. Materials Data on Sb3Pd8 by Materials Project. United States. doi:https://doi.org/10.17188/1283489
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The Materials Project. 2020. "Materials Data on Sb3Pd8 by Materials Project". United States. doi:https://doi.org/10.17188/1283489. https://www.osti.gov/servlets/purl/1283489. Pub date:Thu Apr 30 00:00:00 EDT 2020
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@article{osti_1283489,
title = {Materials Data on Sb3Pd8 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd8Sb3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are sixteen inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to nine Pd and four Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.87–3.22 Å. There are a spread of Pd–Sb bond distances ranging from 2.62–2.86 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to one Pd and four Sb atoms. The Pd–Pd bond length is 2.85 Å. There are a spread of Pd–Sb bond distances ranging from 2.63–2.90 Å. In the third Pd site, Pd is bonded in a 3-coordinate geometry to two Pd and three Sb atoms. There are one shorter (2.87 Å) and one longer (2.91 Å) Pd–Pd bond lengths. There are a spread of Pd–Sb bond distances ranging from 2.72–2.82 Å. In the fourth Pd site, Pd is bonded in a 4-coordinate geometry to nine Pd and four Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.86–3.38 Å. There are a spread of Pd–Sb bond distances ranging from 2.64–2.95 Å. In the fifth Pd site, Pd is bonded in a 11-coordinate geometry to seven Pd and four Sb atoms. The Pd–Pd bond length is 2.77 Å. There are one shorter (2.68 Å) and three longer (2.83 Å) Pd–Sb bond lengths. In the sixth Pd site, Pd is bonded in a 4-coordinate geometry to two Pd and four Sb atoms. There are one shorter (2.87 Å) and one longer (3.05 Å) Pd–Pd bond lengths. There are a spread of Pd–Sb bond distances ranging from 2.64–2.85 Å. In the seventh Pd site, Pd is bonded in a 11-coordinate geometry to seven Pd and four Sb atoms. There are one shorter (2.81 Å) and three longer (2.96 Å) Pd–Pd bond lengths. There are one shorter (2.73 Å) and three longer (2.82 Å) Pd–Sb bond lengths. In the eighth Pd site, Pd is bonded in a 12-coordinate geometry to eight Pd and four Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.87–2.98 Å. There are a spread of Pd–Sb bond distances ranging from 2.73–3.32 Å. In the ninth Pd site, Pd is bonded in a 3-coordinate geometry to six Pd and three Sb atoms. The Pd–Pd bond length is 3.13 Å. There are a spread of Pd–Sb bond distances ranging from 2.68–2.79 Å. In the tenth Pd site, Pd is bonded in a 3-coordinate geometry to two Pd and three Sb atoms. There are one shorter (2.90 Å) and one longer (2.91 Å) Pd–Pd bond lengths. There are a spread of Pd–Sb bond distances ranging from 2.69–2.81 Å. In the eleventh Pd site, Pd is bonded in a 11-coordinate geometry to seven Pd and four Sb atoms. There are one shorter (2.66 Å) and three longer (2.81 Å) Pd–Sb bond lengths. In the twelfth Pd site, Pd is bonded in a 4-coordinate geometry to three equivalent Pd and four Sb atoms. There are one shorter (2.68 Å) and three longer (2.78 Å) Pd–Sb bond lengths. In the thirteenth Pd site, Pd is bonded in a 4-coordinate geometry to three equivalent Pd and four Sb atoms. There are one shorter (2.66 Å) and three longer (2.83 Å) Pd–Sb bond lengths. In the fourteenth Pd site, Pd is bonded in a 4-coordinate geometry to nine Pd and four Sb atoms. There are one shorter (2.74 Å) and three longer (2.81 Å) Pd–Sb bond lengths. In the fifteenth Pd site, Pd is bonded in a 11-coordinate geometry to seven Pd and four Sb atoms. There are one shorter (2.65 Å) and three longer (2.82 Å) Pd–Sb bond lengths. In the sixteenth Pd site, Pd is bonded in a 4-coordinate geometry to six Pd and four Sb atoms. All Pd–Sb bond lengths are 2.77 Å. There are eight inequivalent Sb sites. In the first Sb site, Sb is bonded in a distorted q6 geometry to ten Pd atoms. In the second Sb site, Sb is bonded in a body-centered cubic geometry to eight Pd atoms. In the third Sb site, Sb is bonded in a body-centered cubic geometry to eight Pd atoms. In the fourth Sb site, Sb is bonded in a 12-coordinate geometry to eleven Pd atoms. In the fifth Sb site, Sb is bonded in a 10-coordinate geometry to ten Pd atoms. In the sixth Sb site, Sb is bonded in a distorted q6 geometry to ten Pd atoms. In the seventh Sb site, Sb is bonded in a distorted q6 geometry to ten Pd atoms. In the eighth Sb site, Sb is bonded in a distorted q6 geometry to ten Pd atoms.},
doi = {10.17188/1283489},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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DOI: https://doi.org/10.17188/1283489
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