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Title: Materials Data on Gd3P4Pd7 by Materials Project

Abstract

Gd3Pd7P4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to ten Pd and four P atoms. There are a spread of Gd–Pd bond distances ranging from 3.00–3.21 Å. There are two shorter (2.96 Å) and two longer (3.02 Å) Gd–P bond lengths. In the second Gd site, Gd is bonded in a 6-coordinate geometry to ten Pd and six P atoms. There are a spread of Gd–Pd bond distances ranging from 3.25–3.50 Å. There are two shorter (2.97 Å) and four longer (3.00 Å) Gd–P bond lengths. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to five Gd, three Pd, and four P atoms. There are one shorter (2.79 Å) and two longer (2.90 Å) Pd–Pd bond lengths. There are a spread of Pd–P bond distances ranging from 2.49–2.59 Å. In the second Pd site, Pd is bonded to four Gd, five Pd, and three P atoms to form a mixture of distorted edge, corner, and face-sharing PdGd4P3Pd5 cuboctahedra. There are two shorter (2.84 Å) and two longer (2.94more » Å) Pd–Pd bond lengths. There are two shorter (2.48 Å) and one longer (2.50 Å) Pd–P bond lengths. In the third Pd site, Pd is bonded in a 12-coordinate geometry to four Gd, five Pd, and three equivalent P atoms. There are two shorter (2.88 Å) and one longer (3.10 Å) Pd–Pd bond lengths. There are two shorter (2.52 Å) and one longer (2.64 Å) Pd–P bond lengths. In the fourth Pd site, Pd is bonded to four equivalent Gd, six Pd, and two equivalent P atoms to form distorted face-sharing PdGd4P2Pd6 cuboctahedra. Both Pd–P bond lengths are 2.47 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four Gd and five Pd atoms. In the second P site, P is bonded in a 9-coordinate geometry to three Gd and six Pd atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-647029
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; Gd3P4Pd7; Gd-P-Pd
OSTI Identifier:
1280664
DOI:
10.17188/1280664

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Gd3P4Pd7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280664.
Persson, Kristin, & Project, Materials. Materials Data on Gd3P4Pd7 by Materials Project. United States. doi:10.17188/1280664.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Gd3P4Pd7 by Materials Project". United States. doi:10.17188/1280664. https://www.osti.gov/servlets/purl/1280664. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1280664,
title = {Materials Data on Gd3P4Pd7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Gd3Pd7P4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to ten Pd and four P atoms. There are a spread of Gd–Pd bond distances ranging from 3.00–3.21 Å. There are two shorter (2.96 Å) and two longer (3.02 Å) Gd–P bond lengths. In the second Gd site, Gd is bonded in a 6-coordinate geometry to ten Pd and six P atoms. There are a spread of Gd–Pd bond distances ranging from 3.25–3.50 Å. There are two shorter (2.97 Å) and four longer (3.00 Å) Gd–P bond lengths. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to five Gd, three Pd, and four P atoms. There are one shorter (2.79 Å) and two longer (2.90 Å) Pd–Pd bond lengths. There are a spread of Pd–P bond distances ranging from 2.49–2.59 Å. In the second Pd site, Pd is bonded to four Gd, five Pd, and three P atoms to form a mixture of distorted edge, corner, and face-sharing PdGd4P3Pd5 cuboctahedra. There are two shorter (2.84 Å) and two longer (2.94 Å) Pd–Pd bond lengths. There are two shorter (2.48 Å) and one longer (2.50 Å) Pd–P bond lengths. In the third Pd site, Pd is bonded in a 12-coordinate geometry to four Gd, five Pd, and three equivalent P atoms. There are two shorter (2.88 Å) and one longer (3.10 Å) Pd–Pd bond lengths. There are two shorter (2.52 Å) and one longer (2.64 Å) Pd–P bond lengths. In the fourth Pd site, Pd is bonded to four equivalent Gd, six Pd, and two equivalent P atoms to form distorted face-sharing PdGd4P2Pd6 cuboctahedra. Both Pd–P bond lengths are 2.47 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four Gd and five Pd atoms. In the second P site, P is bonded in a 9-coordinate geometry to three Gd and six Pd atoms.},
doi = {10.17188/1280664},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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