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Title: Materials Data on Pr2PbS4 by Materials Project

Abstract

Pr2PbS4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Pr3+ is bonded to eight equivalent S2- atoms to form distorted PrS8 hexagonal bipyramids that share corners with four equivalent PrS8 hexagonal bipyramids, corners with four equivalent PbS8 hexagonal bipyramids, edges with four equivalent PrS8 hexagonal bipyramids, faces with four equivalent PrS8 hexagonal bipyramids, and faces with four equivalent PbS8 hexagonal bipyramids. There are a spread of Pr–S bond distances ranging from 2.89–3.13 Å. Pb2+ is bonded to eight equivalent S2- atoms to form distorted PbS8 hexagonal bipyramids that share corners with eight equivalent PrS8 hexagonal bipyramids, edges with four equivalent PbS8 hexagonal bipyramids, and faces with eight equivalent PrS8 hexagonal bipyramids. There are four shorter (2.99 Å) and four longer (3.16 Å) Pb–S bond lengths. S2- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two equivalent Pb2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-675638
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Pr2PbS4; Pb-Pr-S
OSTI Identifier:
1282782
DOI:
https://doi.org/10.17188/1282782

Citation Formats

The Materials Project. Materials Data on Pr2PbS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282782.
The Materials Project. Materials Data on Pr2PbS4 by Materials Project. United States. doi:https://doi.org/10.17188/1282782
The Materials Project. 2020. "Materials Data on Pr2PbS4 by Materials Project". United States. doi:https://doi.org/10.17188/1282782. https://www.osti.gov/servlets/purl/1282782. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1282782,
title = {Materials Data on Pr2PbS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2PbS4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Pr3+ is bonded to eight equivalent S2- atoms to form distorted PrS8 hexagonal bipyramids that share corners with four equivalent PrS8 hexagonal bipyramids, corners with four equivalent PbS8 hexagonal bipyramids, edges with four equivalent PrS8 hexagonal bipyramids, faces with four equivalent PrS8 hexagonal bipyramids, and faces with four equivalent PbS8 hexagonal bipyramids. There are a spread of Pr–S bond distances ranging from 2.89–3.13 Å. Pb2+ is bonded to eight equivalent S2- atoms to form distorted PbS8 hexagonal bipyramids that share corners with eight equivalent PrS8 hexagonal bipyramids, edges with four equivalent PbS8 hexagonal bipyramids, and faces with eight equivalent PrS8 hexagonal bipyramids. There are four shorter (2.99 Å) and four longer (3.16 Å) Pb–S bond lengths. S2- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two equivalent Pb2+ atoms.},
doi = {10.17188/1282782},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}