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Title: Materials Data on Bi2Pd3S2 by Materials Project

Abstract

Pd3Bi2S2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pd is bonded in a 2-coordinate geometry to four Bi and two equivalent S atoms. There are two shorter (2.88 Å) and two longer (3.11 Å) Pd–Bi bond lengths. Both Pd–S bond lengths are 2.36 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted hexagonal planar geometry to six equivalent Pd atoms. In the second Bi site, Bi is bonded to six equivalent Pd and two equivalent S atoms to form corner-sharing BiPd6S2 hexagonal bipyramids. Both Bi–S bond lengths are 2.97 Å. S is bonded in a distorted rectangular see-saw-like geometry to three equivalent Pd and one Bi atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554304
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; Bi2Pd3S2; Bi-Pd-S
OSTI Identifier:
1267845
DOI:
10.17188/1267845

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Bi2Pd3S2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267845.
Persson, Kristin, & Project, Materials. Materials Data on Bi2Pd3S2 by Materials Project. United States. doi:10.17188/1267845.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Bi2Pd3S2 by Materials Project". United States. doi:10.17188/1267845. https://www.osti.gov/servlets/purl/1267845. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1267845,
title = {Materials Data on Bi2Pd3S2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Pd3Bi2S2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pd is bonded in a 2-coordinate geometry to four Bi and two equivalent S atoms. There are two shorter (2.88 Å) and two longer (3.11 Å) Pd–Bi bond lengths. Both Pd–S bond lengths are 2.36 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted hexagonal planar geometry to six equivalent Pd atoms. In the second Bi site, Bi is bonded to six equivalent Pd and two equivalent S atoms to form corner-sharing BiPd6S2 hexagonal bipyramids. Both Bi–S bond lengths are 2.97 Å. S is bonded in a distorted rectangular see-saw-like geometry to three equivalent Pd and one Bi atom.},
doi = {10.17188/1267845},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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