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Title: Materials Data on VPd4 by Materials Project

Abstract

VPd4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. V is bonded to six equivalent Pd atoms to form distorted VPd6 cuboctahedra that share corners with six equivalent PdPd12 cuboctahedra, edges with six equivalent VPd6 cuboctahedra, and edges with six equivalent PdPd12 cuboctahedra. All V–Pd bond lengths are 2.65 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to three equivalent V and three equivalent Pd atoms to form a mixture of distorted edge and corner-sharing PdV3Pd3 cuboctahedra. All Pd–Pd bond lengths are 2.85 Å. In the second Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent VPd6 cuboctahedra, corners with fifteen PdV3Pd3 cuboctahedra, edges with three equivalent VPd6 cuboctahedra, edges with twenty-one PdV3Pd3 cuboctahedra, and faces with twelve equivalent PdPd12 cuboctahedra. There are six shorter (2.77 Å) and three longer (2.82 Å) Pd–Pd bond lengths.

Publication Date:
Other Number(s):
mp-1216296
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; VPd4; Pd-V
OSTI Identifier:
1749325
DOI:
https://doi.org/10.17188/1749325

Citation Formats

The Materials Project. Materials Data on VPd4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749325.
The Materials Project. Materials Data on VPd4 by Materials Project. United States. doi:https://doi.org/10.17188/1749325
The Materials Project. 2020. "Materials Data on VPd4 by Materials Project". United States. doi:https://doi.org/10.17188/1749325. https://www.osti.gov/servlets/purl/1749325. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1749325,
title = {Materials Data on VPd4 by Materials Project},
author = {The Materials Project},
abstractNote = {VPd4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. V is bonded to six equivalent Pd atoms to form distorted VPd6 cuboctahedra that share corners with six equivalent PdPd12 cuboctahedra, edges with six equivalent VPd6 cuboctahedra, and edges with six equivalent PdPd12 cuboctahedra. All V–Pd bond lengths are 2.65 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to three equivalent V and three equivalent Pd atoms to form a mixture of distorted edge and corner-sharing PdV3Pd3 cuboctahedra. All Pd–Pd bond lengths are 2.85 Å. In the second Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent VPd6 cuboctahedra, corners with fifteen PdV3Pd3 cuboctahedra, edges with three equivalent VPd6 cuboctahedra, edges with twenty-one PdV3Pd3 cuboctahedra, and faces with twelve equivalent PdPd12 cuboctahedra. There are six shorter (2.77 Å) and three longer (2.82 Å) Pd–Pd bond lengths.},
doi = {10.17188/1749325},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}