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Title: Materials Data on Ni3(PbSe)2 by Materials Project

Abstract

Ni3(PbSe)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ni is bonded in a 2-coordinate geometry to four Pb and two equivalent Se atoms. There are two shorter (2.86 Å) and two longer (2.93 Å) Ni–Pb bond lengths. Both Ni–Se bond lengths are 2.30 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. In the second Pb site, Pb is bonded to six equivalent Ni and two equivalent Se atoms to form corner-sharing PbNi6Se2 hexagonal bipyramids. Both Pb–Se bond lengths are 3.24 Å. Se is bonded in a 3-coordinate geometry to three equivalent Ni and one Pb atom.

Publication Date:
Other Number(s):
mp-19747
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; Ni3(PbSe)2; Ni-Pb-Se
OSTI Identifier:
1194955
DOI:
https://doi.org/10.17188/1194955

Citation Formats

The Materials Project. Materials Data on Ni3(PbSe)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1194955.
The Materials Project. Materials Data on Ni3(PbSe)2 by Materials Project. United States. doi:https://doi.org/10.17188/1194955
The Materials Project. 2020. "Materials Data on Ni3(PbSe)2 by Materials Project". United States. doi:https://doi.org/10.17188/1194955. https://www.osti.gov/servlets/purl/1194955. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1194955,
title = {Materials Data on Ni3(PbSe)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni3(PbSe)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ni is bonded in a 2-coordinate geometry to four Pb and two equivalent Se atoms. There are two shorter (2.86 Å) and two longer (2.93 Å) Ni–Pb bond lengths. Both Ni–Se bond lengths are 2.30 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. In the second Pb site, Pb is bonded to six equivalent Ni and two equivalent Se atoms to form corner-sharing PbNi6Se2 hexagonal bipyramids. Both Pb–Se bond lengths are 3.24 Å. Se is bonded in a 3-coordinate geometry to three equivalent Ni and one Pb atom.},
doi = {10.17188/1194955},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}