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Title: Materials Data on PPd4 by Materials Project

Abstract

Pd4P crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to four equivalent Pd and one P atom. There are two shorter (3.00 Å) and two longer (3.19 Å) Pd–Pd bond lengths. The Pd–P bond length is 2.31 Å. In the second Pd site, Pd is bonded in a distorted single-bond geometry to two equivalent Pd and one P atom. Both Pd–Pd bond lengths are 2.95 Å. The Pd–P bond length is 2.33 Å. In the third Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Pd and two P atoms. Both Pd–Pd bond lengths are 2.86 Å. There are one shorter (2.29 Å) and one longer (2.30 Å) Pd–P bond lengths. In the fourth Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Pd and two P atoms. Both Pd–Pd bond lengths are 3.00 Å. There are one shorter (2.30 Å) and one longer (2.32 Å) Pd–P bond lengths. In the fifth Pd site, Pd is bonded in a 1-coordinate geometry to eleven Pd and two P atoms. There are a spread ofmore » Pd–Pd bond distances ranging from 2.84–3.03 Å. There are one shorter (2.37 Å) and one longer (2.68 Å) Pd–P bond lengths. In the sixth Pd site, Pd is bonded in a 1-coordinate geometry to two equivalent Pd and two P atoms. There are one shorter (2.34 Å) and one longer (2.68 Å) Pd–P bond lengths. In the seventh Pd site, Pd is bonded in a 2-coordinate geometry to one Pd and two P atoms. There are one shorter (2.33 Å) and one longer (2.39 Å) Pd–P bond lengths. In the eighth Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Pd and three P atoms. There are a spread of Pd–P bond distances ranging from 2.33–2.65 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 6-coordinate geometry to eight Pd atoms. In the second P site, P is bonded in a 6-coordinate geometry to eight Pd atoms. In the third P site, P is bonded in a 6-coordinate geometry to eight Pd atoms.« less

Publication Date:
Other Number(s):
mp-1220003
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; PPd4; P-Pd
OSTI Identifier:
1676873
DOI:
https://doi.org/10.17188/1676873

Citation Formats

The Materials Project. Materials Data on PPd4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676873.
The Materials Project. Materials Data on PPd4 by Materials Project. United States. doi:https://doi.org/10.17188/1676873
The Materials Project. 2020. "Materials Data on PPd4 by Materials Project". United States. doi:https://doi.org/10.17188/1676873. https://www.osti.gov/servlets/purl/1676873. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1676873,
title = {Materials Data on PPd4 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd4P crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to four equivalent Pd and one P atom. There are two shorter (3.00 Å) and two longer (3.19 Å) Pd–Pd bond lengths. The Pd–P bond length is 2.31 Å. In the second Pd site, Pd is bonded in a distorted single-bond geometry to two equivalent Pd and one P atom. Both Pd–Pd bond lengths are 2.95 Å. The Pd–P bond length is 2.33 Å. In the third Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Pd and two P atoms. Both Pd–Pd bond lengths are 2.86 Å. There are one shorter (2.29 Å) and one longer (2.30 Å) Pd–P bond lengths. In the fourth Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Pd and two P atoms. Both Pd–Pd bond lengths are 3.00 Å. There are one shorter (2.30 Å) and one longer (2.32 Å) Pd–P bond lengths. In the fifth Pd site, Pd is bonded in a 1-coordinate geometry to eleven Pd and two P atoms. There are a spread of Pd–Pd bond distances ranging from 2.84–3.03 Å. There are one shorter (2.37 Å) and one longer (2.68 Å) Pd–P bond lengths. In the sixth Pd site, Pd is bonded in a 1-coordinate geometry to two equivalent Pd and two P atoms. There are one shorter (2.34 Å) and one longer (2.68 Å) Pd–P bond lengths. In the seventh Pd site, Pd is bonded in a 2-coordinate geometry to one Pd and two P atoms. There are one shorter (2.33 Å) and one longer (2.39 Å) Pd–P bond lengths. In the eighth Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Pd and three P atoms. There are a spread of Pd–P bond distances ranging from 2.33–2.65 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 6-coordinate geometry to eight Pd atoms. In the second P site, P is bonded in a 6-coordinate geometry to eight Pd atoms. In the third P site, P is bonded in a 6-coordinate geometry to eight Pd atoms.},
doi = {10.17188/1676873},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}