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Title: Materials Data on BPd5 by Materials Project

Abstract

Pd5B crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a single-bond geometry to four equivalent Pd and one B atom. All Pd–Pd bond lengths are 2.74 Å. The Pd–B bond length is 1.99 Å. In the second Pd site, Pd is bonded in a square co-planar geometry to four equivalent B atoms. All Pd–B bond lengths are 2.21 Å. In the third Pd site, Pd is bonded in a distorted body-centered cubic geometry to eight Pd atoms. All Pd–Pd bond lengths are 2.74 Å. B is bonded to six Pd atoms to form a mixture of edge and corner-sharing BPd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1228665
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; BPd5; B-Pd
OSTI Identifier:
1655778
DOI:
https://doi.org/10.17188/1655778

Citation Formats

The Materials Project. Materials Data on BPd5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655778.
The Materials Project. Materials Data on BPd5 by Materials Project. United States. doi:https://doi.org/10.17188/1655778
The Materials Project. 2020. "Materials Data on BPd5 by Materials Project". United States. doi:https://doi.org/10.17188/1655778. https://www.osti.gov/servlets/purl/1655778. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1655778,
title = {Materials Data on BPd5 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd5B crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a single-bond geometry to four equivalent Pd and one B atom. All Pd–Pd bond lengths are 2.74 Å. The Pd–B bond length is 1.99 Å. In the second Pd site, Pd is bonded in a square co-planar geometry to four equivalent B atoms. All Pd–B bond lengths are 2.21 Å. In the third Pd site, Pd is bonded in a distorted body-centered cubic geometry to eight Pd atoms. All Pd–Pd bond lengths are 2.74 Å. B is bonded to six Pd atoms to form a mixture of edge and corner-sharing BPd6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1655778},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}