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Title: Materials Data on LiPrSn by Materials Project

Abstract

LiPrSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a distorted trigonal planar geometry to six Pr and three Sn atoms. There are a spread of Li–Pr bond distances ranging from 3.23–3.54 Å. There are one shorter (2.78 Å) and two longer (2.81 Å) Li–Sn bond lengths. In the second Li site, Li is bonded in a 4-coordinate geometry to six equivalent Pr and four Sn atoms. There are three shorter (3.25 Å) and three longer (3.65 Å) Li–Pr bond lengths. There are three shorter (2.82 Å) and one longer (3.03 Å) Li–Sn bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to six Li and six Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.33–3.46 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to six equivalent Li and six equivalent Sn atoms. There are three shorter (3.29 Å) and three longer (3.50 Å) Pr–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded inmore » a 3-coordinate geometry to three Li and six Pr atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four Li and six equivalent Pr atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1191159
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; LiPrSn; Li-Pr-Sn
OSTI Identifier:
1691026
DOI:
https://doi.org/10.17188/1691026

Citation Formats

The Materials Project. Materials Data on LiPrSn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1691026.
The Materials Project. Materials Data on LiPrSn by Materials Project. United States. doi:https://doi.org/10.17188/1691026
The Materials Project. 2020. "Materials Data on LiPrSn by Materials Project". United States. doi:https://doi.org/10.17188/1691026. https://www.osti.gov/servlets/purl/1691026. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1691026,
title = {Materials Data on LiPrSn by Materials Project},
author = {The Materials Project},
abstractNote = {LiPrSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a distorted trigonal planar geometry to six Pr and three Sn atoms. There are a spread of Li–Pr bond distances ranging from 3.23–3.54 Å. There are one shorter (2.78 Å) and two longer (2.81 Å) Li–Sn bond lengths. In the second Li site, Li is bonded in a 4-coordinate geometry to six equivalent Pr and four Sn atoms. There are three shorter (3.25 Å) and three longer (3.65 Å) Li–Pr bond lengths. There are three shorter (2.82 Å) and one longer (3.03 Å) Li–Sn bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to six Li and six Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.33–3.46 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to six equivalent Li and six equivalent Sn atoms. There are three shorter (3.29 Å) and three longer (3.50 Å) Pr–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 3-coordinate geometry to three Li and six Pr atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four Li and six equivalent Pr atoms.},
doi = {10.17188/1691026},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}