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Title: Materials Data on Tb3P4Pd7 by Materials Project

Abstract

Tb3Pd7P4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to ten Pd and four P atoms. There are a spread of Tb–Pd bond distances ranging from 2.98–3.19 Å. There are two shorter (2.95 Å) and two longer (2.99 Å) Tb–P bond lengths. In the second Tb site, Tb is bonded in a 6-coordinate geometry to ten Pd and six P atoms. There are a spread of Tb–Pd bond distances ranging from 3.24–3.49 Å. There are two shorter (2.96 Å) and four longer (3.00 Å) Tb–P bond lengths. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to five Tb, three Pd, and four P atoms. There are one shorter (2.80 Å) and two longer (2.89 Å) Pd–Pd bond lengths. There are a spread of Pd–P bond distances ranging from 2.47–2.58 Å. In the second Pd site, Pd is bonded to four Tb, five Pd, and three P atoms to form a mixture of distorted corner, edge, and face-sharing PdTb4P3Pd5 cuboctahedra. There are two shorter (2.83 Å) and two longer (2.93more » Å) Pd–Pd bond lengths. All Pd–P bond lengths are 2.48 Å. In the third Pd site, Pd is bonded in a 12-coordinate geometry to four Tb, five Pd, and three equivalent P atoms. There are two shorter (2.88 Å) and one longer (3.08 Å) Pd–Pd bond lengths. There are two shorter (2.51 Å) and one longer (2.65 Å) Pd–P bond lengths. In the fourth Pd site, Pd is bonded to four equivalent Tb, six Pd, and two equivalent P atoms to form distorted face-sharing PdTb4P2Pd6 cuboctahedra. Both Pd–P bond lengths are 2.46 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four Tb and five Pd atoms. In the second P site, P is bonded in a 9-coordinate geometry to three Tb and six Pd atoms.« less

Publication Date:
Other Number(s):
mp-569431
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; Tb3P4Pd7; P-Pd-Tb
OSTI Identifier:
1275097
DOI:
10.17188/1275097

Citation Formats

The Materials Project. Materials Data on Tb3P4Pd7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275097.
The Materials Project. Materials Data on Tb3P4Pd7 by Materials Project. United States. doi:10.17188/1275097.
The Materials Project. 2020. "Materials Data on Tb3P4Pd7 by Materials Project". United States. doi:10.17188/1275097. https://www.osti.gov/servlets/purl/1275097. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1275097,
title = {Materials Data on Tb3P4Pd7 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb3Pd7P4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to ten Pd and four P atoms. There are a spread of Tb–Pd bond distances ranging from 2.98–3.19 Å. There are two shorter (2.95 Å) and two longer (2.99 Å) Tb–P bond lengths. In the second Tb site, Tb is bonded in a 6-coordinate geometry to ten Pd and six P atoms. There are a spread of Tb–Pd bond distances ranging from 3.24–3.49 Å. There are two shorter (2.96 Å) and four longer (3.00 Å) Tb–P bond lengths. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to five Tb, three Pd, and four P atoms. There are one shorter (2.80 Å) and two longer (2.89 Å) Pd–Pd bond lengths. There are a spread of Pd–P bond distances ranging from 2.47–2.58 Å. In the second Pd site, Pd is bonded to four Tb, five Pd, and three P atoms to form a mixture of distorted corner, edge, and face-sharing PdTb4P3Pd5 cuboctahedra. There are two shorter (2.83 Å) and two longer (2.93 Å) Pd–Pd bond lengths. All Pd–P bond lengths are 2.48 Å. In the third Pd site, Pd is bonded in a 12-coordinate geometry to four Tb, five Pd, and three equivalent P atoms. There are two shorter (2.88 Å) and one longer (3.08 Å) Pd–Pd bond lengths. There are two shorter (2.51 Å) and one longer (2.65 Å) Pd–P bond lengths. In the fourth Pd site, Pd is bonded to four equivalent Tb, six Pd, and two equivalent P atoms to form distorted face-sharing PdTb4P2Pd6 cuboctahedra. Both Pd–P bond lengths are 2.46 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four Tb and five Pd atoms. In the second P site, P is bonded in a 9-coordinate geometry to three Tb and six Pd atoms.},
doi = {10.17188/1275097},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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