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Title: Materials Data on Li2PrSb2 by Materials Project

Abstract

Li2PrSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five Sb+2.50- atoms. There are one shorter (2.56 Å) and four longer (2.68 Å) Li–Sb bond lengths. In the second Li1+ site, Li1+ is bonded to four equivalent Sb+2.50- atoms to form a mixture of edge and corner-sharing LiSb4 tetrahedra. All Li–Sb bond lengths are 2.83 Å. Pr3+ is bonded in a 8-coordinate geometry to eight Sb+2.50- atoms. There are four shorter (3.46 Å) and four longer (3.53 Å) Pr–Sb bond lengths. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 1-coordinate geometry to five Li1+ and four equivalent Pr3+ atoms. In the second Sb+2.50- site, Sb+2.50- is bonded to four equivalent Li1+ and four equivalent Pr3+ atoms to form a mixture of distorted edge and face-sharing SbLi4Pr4 tetrahedra.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1197653
Report Number(s):
mp-22446
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Li2PrSb2; Li-Pr-Sb

Citation Formats

The Materials Project. Materials Data on Li2PrSb2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197653.
The Materials Project. Materials Data on Li2PrSb2 by Materials Project. United States. https://doi.org/10.17188/1197653
The Materials Project. 2020. "Materials Data on Li2PrSb2 by Materials Project". United States. https://doi.org/10.17188/1197653. https://www.osti.gov/servlets/purl/1197653.
@article{osti_1197653,
title = {Materials Data on Li2PrSb2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2PrSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five Sb+2.50- atoms. There are one shorter (2.56 Å) and four longer (2.68 Å) Li–Sb bond lengths. In the second Li1+ site, Li1+ is bonded to four equivalent Sb+2.50- atoms to form a mixture of edge and corner-sharing LiSb4 tetrahedra. All Li–Sb bond lengths are 2.83 Å. Pr3+ is bonded in a 8-coordinate geometry to eight Sb+2.50- atoms. There are four shorter (3.46 Å) and four longer (3.53 Å) Pr–Sb bond lengths. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 1-coordinate geometry to five Li1+ and four equivalent Pr3+ atoms. In the second Sb+2.50- site, Sb+2.50- is bonded to four equivalent Li1+ and four equivalent Pr3+ atoms to form a mixture of distorted edge and face-sharing SbLi4Pr4 tetrahedra.},
doi = {10.17188/1197653},
url = {https://www.osti.gov/biblio/1197653}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}