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Title: Materials Data on PPd6 by Materials Project

Abstract

Pd6P crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to five Pd and two equivalent P atoms. There are a spread of Pd–Pd bond distances ranging from 2.79–2.81 Å. Both Pd–P bond lengths are 2.37 Å. In the second Pd site, Pd is bonded to eleven Pd and one P atom to form a mixture of distorted corner, edge, and face-sharing PdPPd11 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.66–3.10 Å. The Pd–P bond length is 2.56 Å. In the third Pd site, Pd is bonded to eleven Pd and one P atom to form a mixture of distorted corner, edge, and face-sharing PdPPd11 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.80–3.10 Å. The Pd–P bond length is 2.56 Å. In the fourth Pd site, Pd is bonded in a 2-coordinate geometry to four Pd and two equivalent P atoms. Both Pd–P bond lengths are 2.36 Å. In the fifth Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with two equivalent PdPd12 cuboctahedra,more » edges with eight PdPPd11 cuboctahedra, and faces with twelve PdPPd11 cuboctahedra. Both Pd–Pd bond lengths are 3.10 Å. P is bonded in a 8-coordinate geometry to eight Pd atoms.« less

Publication Date:
Other Number(s):
mp-1219971
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; PPd6; P-Pd
OSTI Identifier:
1677319
DOI:
https://doi.org/10.17188/1677319

Citation Formats

The Materials Project. Materials Data on PPd6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1677319.
The Materials Project. Materials Data on PPd6 by Materials Project. United States. doi:https://doi.org/10.17188/1677319
The Materials Project. 2019. "Materials Data on PPd6 by Materials Project". United States. doi:https://doi.org/10.17188/1677319. https://www.osti.gov/servlets/purl/1677319. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1677319,
title = {Materials Data on PPd6 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd6P crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to five Pd and two equivalent P atoms. There are a spread of Pd–Pd bond distances ranging from 2.79–2.81 Å. Both Pd–P bond lengths are 2.37 Å. In the second Pd site, Pd is bonded to eleven Pd and one P atom to form a mixture of distorted corner, edge, and face-sharing PdPPd11 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.66–3.10 Å. The Pd–P bond length is 2.56 Å. In the third Pd site, Pd is bonded to eleven Pd and one P atom to form a mixture of distorted corner, edge, and face-sharing PdPPd11 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.80–3.10 Å. The Pd–P bond length is 2.56 Å. In the fourth Pd site, Pd is bonded in a 2-coordinate geometry to four Pd and two equivalent P atoms. Both Pd–P bond lengths are 2.36 Å. In the fifth Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with two equivalent PdPd12 cuboctahedra, edges with eight PdPPd11 cuboctahedra, and faces with twelve PdPPd11 cuboctahedra. Both Pd–Pd bond lengths are 3.10 Å. P is bonded in a 8-coordinate geometry to eight Pd atoms.},
doi = {10.17188/1677319},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}