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Title: Materials Data on Li5SnP3 by Materials Project

Abstract

Li5SnP3 is Fluorite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four P3- atoms to form LiP4 tetrahedra that share corners with three equivalent SnP4 tetrahedra, corners with thirteen LiP4 tetrahedra, an edgeedge with one SnP4 tetrahedra, and edges with five LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.55–2.64 Å. In the second Li1+ site, Li1+ is bonded to four P3- atoms to form LiP4 tetrahedra that share corners with three equivalent SnP4 tetrahedra, corners with thirteen LiP4 tetrahedra, an edgeedge with one SnP4 tetrahedra, and edges with five LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.58–2.67 Å. In the third Li1+ site, Li1+ is bonded to four P3- atoms to form LiP4 tetrahedra that share corners with two equivalent SnP4 tetrahedra, corners with fourteen LiP4 tetrahedra, edges with two equivalent SnP4 tetrahedra, and edges with four LiP4 tetrahedra. There are two shorter (2.59 Å) and two longer (2.62 Å) Li–P bond lengths. Sn4+ is bonded to four P3- atoms to form SnP4 tetrahedra that share corners with two equivalentmore » SnP4 tetrahedra, corners with fourteen LiP4 tetrahedra, and edges with six LiP4 tetrahedra. There are two shorter (2.49 Å) and two longer (2.66 Å) Sn–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a body-centered cubic geometry to six Li1+ and two equivalent Sn4+ atoms. In the second P3- site, P3- is bonded in a body-centered cubic geometry to seven Li1+ and one Sn4+ atom.« less

Publication Date:
Other Number(s):
mp-675621
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; Li5SnP3; Li-P-Sn
OSTI Identifier:
1282774
DOI:
https://doi.org/10.17188/1282774

Citation Formats

The Materials Project. Materials Data on Li5SnP3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282774.
The Materials Project. Materials Data on Li5SnP3 by Materials Project. United States. doi:https://doi.org/10.17188/1282774
The Materials Project. 2020. "Materials Data on Li5SnP3 by Materials Project". United States. doi:https://doi.org/10.17188/1282774. https://www.osti.gov/servlets/purl/1282774. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1282774,
title = {Materials Data on Li5SnP3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li5SnP3 is Fluorite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four P3- atoms to form LiP4 tetrahedra that share corners with three equivalent SnP4 tetrahedra, corners with thirteen LiP4 tetrahedra, an edgeedge with one SnP4 tetrahedra, and edges with five LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.55–2.64 Å. In the second Li1+ site, Li1+ is bonded to four P3- atoms to form LiP4 tetrahedra that share corners with three equivalent SnP4 tetrahedra, corners with thirteen LiP4 tetrahedra, an edgeedge with one SnP4 tetrahedra, and edges with five LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.58–2.67 Å. In the third Li1+ site, Li1+ is bonded to four P3- atoms to form LiP4 tetrahedra that share corners with two equivalent SnP4 tetrahedra, corners with fourteen LiP4 tetrahedra, edges with two equivalent SnP4 tetrahedra, and edges with four LiP4 tetrahedra. There are two shorter (2.59 Å) and two longer (2.62 Å) Li–P bond lengths. Sn4+ is bonded to four P3- atoms to form SnP4 tetrahedra that share corners with two equivalent SnP4 tetrahedra, corners with fourteen LiP4 tetrahedra, and edges with six LiP4 tetrahedra. There are two shorter (2.49 Å) and two longer (2.66 Å) Sn–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a body-centered cubic geometry to six Li1+ and two equivalent Sn4+ atoms. In the second P3- site, P3- is bonded in a body-centered cubic geometry to seven Li1+ and one Sn4+ atom.},
doi = {10.17188/1282774},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}