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Title: Materials Data on Nb4Pd by Materials Project

Abstract

Nb4Pd crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to two equivalent Nb and two equivalent Pd atoms. Both Nb–Nb bond lengths are 2.90 Å. Both Nb–Pd bond lengths are 2.78 Å. In the second Nb site, Nb is bonded in a distorted body-centered cubic geometry to eight Nb atoms. There are four shorter (2.83 Å) and two longer (2.95 Å) Nb–Nb bond lengths. Pd is bonded to four equivalent Nb atoms to form distorted edge-sharing PdNb4 cuboctahedra.

Publication Date:
Other Number(s):
mp-1220401
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; Nb4Pd; Nb-Pd
OSTI Identifier:
1729027
DOI:
https://doi.org/10.17188/1729027

Citation Formats

The Materials Project. Materials Data on Nb4Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729027.
The Materials Project. Materials Data on Nb4Pd by Materials Project. United States. doi:https://doi.org/10.17188/1729027
The Materials Project. 2020. "Materials Data on Nb4Pd by Materials Project". United States. doi:https://doi.org/10.17188/1729027. https://www.osti.gov/servlets/purl/1729027. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1729027,
title = {Materials Data on Nb4Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Nb4Pd crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to two equivalent Nb and two equivalent Pd atoms. Both Nb–Nb bond lengths are 2.90 Å. Both Nb–Pd bond lengths are 2.78 Å. In the second Nb site, Nb is bonded in a distorted body-centered cubic geometry to eight Nb atoms. There are four shorter (2.83 Å) and two longer (2.95 Å) Nb–Nb bond lengths. Pd is bonded to four equivalent Nb atoms to form distorted edge-sharing PdNb4 cuboctahedra.},
doi = {10.17188/1729027},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}