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Title: Materials Data on Nb5(PPd)4 by Materials Project

Abstract

Nb5Pd4P4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 4-coordinate geometry to four equivalent Pd and five equivalent P atoms. There are a spread of Nb–Pd bond distances ranging from 2.90–3.07 Å. There are a spread of Nb–P bond distances ranging from 2.59–3.00 Å. In the second Nb site, Nb is bonded in a square co-planar geometry to four equivalent P atoms. All Nb–P bond lengths are 2.62 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Nb, five equivalent Pd, and three equivalent P atoms. There are four shorter (2.87 Å) and one longer (3.14 Å) Pd–Pd bond lengths. There are two shorter (2.38 Å) and one longer (2.49 Å) Pd–P bond lengths. P is bonded in a 9-coordinate geometry to six Nb and three equivalent Pd atoms.

Publication Date:
Other Number(s):
mp-10388
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; Nb5(PPd)4; Nb-P-Pd
OSTI Identifier:
1187083
DOI:
https://doi.org/10.17188/1187083

Citation Formats

The Materials Project. Materials Data on Nb5(PPd)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187083.
The Materials Project. Materials Data on Nb5(PPd)4 by Materials Project. United States. doi:https://doi.org/10.17188/1187083
The Materials Project. 2020. "Materials Data on Nb5(PPd)4 by Materials Project". United States. doi:https://doi.org/10.17188/1187083. https://www.osti.gov/servlets/purl/1187083. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187083,
title = {Materials Data on Nb5(PPd)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb5Pd4P4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 4-coordinate geometry to four equivalent Pd and five equivalent P atoms. There are a spread of Nb–Pd bond distances ranging from 2.90–3.07 Å. There are a spread of Nb–P bond distances ranging from 2.59–3.00 Å. In the second Nb site, Nb is bonded in a square co-planar geometry to four equivalent P atoms. All Nb–P bond lengths are 2.62 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Nb, five equivalent Pd, and three equivalent P atoms. There are four shorter (2.87 Å) and one longer (3.14 Å) Pd–Pd bond lengths. There are two shorter (2.38 Å) and one longer (2.49 Å) Pd–P bond lengths. P is bonded in a 9-coordinate geometry to six Nb and three equivalent Pd atoms.},
doi = {10.17188/1187083},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}