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Title: Materials Data on La6P17Pd6 by Materials Project

Abstract

La6Pd6P17 crystallizes in the cubic I-43m space group. The structure is three-dimensional. La+2.50+ is bonded in a 7-coordinate geometry to nine P+1.59- atoms. There are a spread of La–P bond distances ranging from 3.00–3.45 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent P+1.59- atoms. All Pd–P bond lengths are 2.36 Å. There are three inequivalent P+1.59- sites. In the first P+1.59- site, P+1.59- is bonded in a 5-coordinate geometry to three equivalent La+2.50+, two equivalent Pd2+, and one P+1.59- atom. The P–P bond length is 2.22 Å. In the second P+1.59- site, P+1.59- is bonded in a 6-coordinate geometry to three equivalent La+2.50+ and three equivalent P+1.59- atoms. In the third P+1.59- site, P+1.59- is bonded in an octahedral geometry to six equivalent La+2.50+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-504775
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; La6P17Pd6; La-P-Pd
OSTI Identifier:
1262046
DOI:
10.17188/1262046

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on La6P17Pd6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262046.
Persson, Kristin, & Project, Materials. Materials Data on La6P17Pd6 by Materials Project. United States. doi:10.17188/1262046.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on La6P17Pd6 by Materials Project". United States. doi:10.17188/1262046. https://www.osti.gov/servlets/purl/1262046. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1262046,
title = {Materials Data on La6P17Pd6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {La6Pd6P17 crystallizes in the cubic I-43m space group. The structure is three-dimensional. La+2.50+ is bonded in a 7-coordinate geometry to nine P+1.59- atoms. There are a spread of La–P bond distances ranging from 3.00–3.45 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent P+1.59- atoms. All Pd–P bond lengths are 2.36 Å. There are three inequivalent P+1.59- sites. In the first P+1.59- site, P+1.59- is bonded in a 5-coordinate geometry to three equivalent La+2.50+, two equivalent Pd2+, and one P+1.59- atom. The P–P bond length is 2.22 Å. In the second P+1.59- site, P+1.59- is bonded in a 6-coordinate geometry to three equivalent La+2.50+ and three equivalent P+1.59- atoms. In the third P+1.59- site, P+1.59- is bonded in an octahedral geometry to six equivalent La+2.50+ atoms.},
doi = {10.17188/1262046},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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