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Title: Materials Data on NaCu3PbSe4 by Materials Project

Abstract

NaCu3PbSe4 is Matlockite-derived structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Na1+ is bonded to four equivalent Se2- atoms to form NaSe4 tetrahedra that share corners with four equivalent PbSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Na–Se bond lengths are 2.70 Å. Cu+1.67+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent NaSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent PbSe4 tetrahedra. All Cu–Se bond lengths are 2.65 Å. Pb2+ is bonded to four equivalent Se2- atoms to form PbSe4 tetrahedra that share corners with four equivalent NaSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Pb–Se bond lengths are 2.62 Å. Se2- is bonded in a 5-coordinate geometry to one Na1+, three equivalent Cu+1.67+, and one Pb2+ atom.

Publication Date:
Other Number(s):
mp-1179888
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; NaCu3PbSe4; Cu-Na-Pb-Se
OSTI Identifier:
1684533
DOI:
https://doi.org/10.17188/1684533

Citation Formats

The Materials Project. Materials Data on NaCu3PbSe4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684533.
The Materials Project. Materials Data on NaCu3PbSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1684533
The Materials Project. 2019. "Materials Data on NaCu3PbSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1684533. https://www.osti.gov/servlets/purl/1684533. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1684533,
title = {Materials Data on NaCu3PbSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaCu3PbSe4 is Matlockite-derived structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Na1+ is bonded to four equivalent Se2- atoms to form NaSe4 tetrahedra that share corners with four equivalent PbSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Na–Se bond lengths are 2.70 Å. Cu+1.67+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent NaSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent PbSe4 tetrahedra. All Cu–Se bond lengths are 2.65 Å. Pb2+ is bonded to four equivalent Se2- atoms to form PbSe4 tetrahedra that share corners with four equivalent NaSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Pb–Se bond lengths are 2.62 Å. Se2- is bonded in a 5-coordinate geometry to one Na1+, three equivalent Cu+1.67+, and one Pb2+ atom.},
doi = {10.17188/1684533},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}