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Title: Materials Data on Sr(PrS2)2 by Materials Project

Abstract

Sr(PrS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sr2+ is bonded to eight equivalent S2- atoms to form distorted SrS8 hexagonal bipyramids that share corners with eight equivalent PrS8 hexagonal bipyramids, edges with four equivalent SrS8 hexagonal bipyramids, and faces with eight equivalent PrS8 hexagonal bipyramids. There are four shorter (2.98 Å) and four longer (3.16 Å) Sr–S bond lengths. Pr3+ is bonded to eight equivalent S2- atoms to form distorted PrS8 hexagonal bipyramids that share corners with four equivalent SrS8 hexagonal bipyramids, corners with four equivalent PrS8 hexagonal bipyramids, edges with four equivalent PrS8 hexagonal bipyramids, faces with four equivalent SrS8 hexagonal bipyramids, and faces with four equivalent PrS8 hexagonal bipyramids. There are a spread of Pr–S bond distances ranging from 2.89–3.12 Å. S2- is bonded to two equivalent Sr2+ and four equivalent Pr3+ atoms to form a mixture of distorted edge, face, and corner-sharing SSr2Pr4 octahedra. The corner-sharing octahedra tilt angles range from 16–51°.

Authors:
Publication Date:
Other Number(s):
mp-38240
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; Sr(PrS2)2; Pr-S-Sr
OSTI Identifier:
1207493
DOI:
https://doi.org/10.17188/1207493

Citation Formats

The Materials Project. Materials Data on Sr(PrS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207493.
The Materials Project. Materials Data on Sr(PrS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1207493
The Materials Project. 2020. "Materials Data on Sr(PrS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1207493. https://www.osti.gov/servlets/purl/1207493. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1207493,
title = {Materials Data on Sr(PrS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr(PrS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sr2+ is bonded to eight equivalent S2- atoms to form distorted SrS8 hexagonal bipyramids that share corners with eight equivalent PrS8 hexagonal bipyramids, edges with four equivalent SrS8 hexagonal bipyramids, and faces with eight equivalent PrS8 hexagonal bipyramids. There are four shorter (2.98 Å) and four longer (3.16 Å) Sr–S bond lengths. Pr3+ is bonded to eight equivalent S2- atoms to form distorted PrS8 hexagonal bipyramids that share corners with four equivalent SrS8 hexagonal bipyramids, corners with four equivalent PrS8 hexagonal bipyramids, edges with four equivalent PrS8 hexagonal bipyramids, faces with four equivalent SrS8 hexagonal bipyramids, and faces with four equivalent PrS8 hexagonal bipyramids. There are a spread of Pr–S bond distances ranging from 2.89–3.12 Å. S2- is bonded to two equivalent Sr2+ and four equivalent Pr3+ atoms to form a mixture of distorted edge, face, and corner-sharing SSr2Pr4 octahedra. The corner-sharing octahedra tilt angles range from 16–51°.},
doi = {10.17188/1207493},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}