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Title: Materials Data on Li5GeP3 by Materials Project

Abstract

Li5GeP3 is alpha bismuth trifluoride-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 GeP4 tetrahedra, corners with thirteen LiP4 tetrahedra, an edgeedge with one GeP4 tetrahedra, and edges with five LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.52–2.57 Å. In the second Li1+ site, Li1+ is bonded to four P3- atoms to form LiP4 tetrahedra that share corners with three equivalent GeP4 tetrahedra, corners with thirteen LiP4 tetrahedra, an edgeedge with one GeP4 tetrahedra, and edges with five LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.49–2.70 Å. In the third Li1+ site, Li1+ is bonded to four P3- atoms to form LiP4 tetrahedra that share corners with two equivalent GeP4 tetrahedra, corners with fourteen LiP4 tetrahedra, edges with two equivalent GeP4 tetrahedra, and edges with four LiP4 tetrahedra. All Li–P bond lengths are 2.53 Å. Ge4+ is bonded to four P3- atoms to form GeP4 tetrahedra that share corners with two equivalent GeP4 tetrahedra, corners with fourteenmore » LiP4 tetrahedra, and edges with six LiP4 tetrahedra. There are two shorter (2.32 Å) and two longer (2.61 Å) Ge–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a body-centered cubic geometry to seven Li1+ and one Ge4+ atom. In the second P3- site, P3- is bonded in a body-centered cubic geometry to six Li1+ and two equivalent Ge4+ atoms.« less

Publication Date:
Other Number(s):
mp-1173014
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; Li5GeP3; Ge-Li-P
OSTI Identifier:
1751387
DOI:
https://doi.org/10.17188/1751387

Citation Formats

The Materials Project. Materials Data on Li5GeP3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751387.
The Materials Project. Materials Data on Li5GeP3 by Materials Project. United States. doi:https://doi.org/10.17188/1751387
The Materials Project. 2020. "Materials Data on Li5GeP3 by Materials Project". United States. doi:https://doi.org/10.17188/1751387. https://www.osti.gov/servlets/purl/1751387. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1751387,
title = {Materials Data on Li5GeP3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li5GeP3 is alpha bismuth trifluoride-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 GeP4 tetrahedra, corners with thirteen LiP4 tetrahedra, an edgeedge with one GeP4 tetrahedra, and edges with five LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.52–2.57 Å. In the second Li1+ site, Li1+ is bonded to four P3- atoms to form LiP4 tetrahedra that share corners with three equivalent GeP4 tetrahedra, corners with thirteen LiP4 tetrahedra, an edgeedge with one GeP4 tetrahedra, and edges with five LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.49–2.70 Å. In the third Li1+ site, Li1+ is bonded to four P3- atoms to form LiP4 tetrahedra that share corners with two equivalent GeP4 tetrahedra, corners with fourteen LiP4 tetrahedra, edges with two equivalent GeP4 tetrahedra, and edges with four LiP4 tetrahedra. All Li–P bond lengths are 2.53 Å. Ge4+ is bonded to four P3- atoms to form GeP4 tetrahedra that share corners with two equivalent GeP4 tetrahedra, corners with fourteen LiP4 tetrahedra, and edges with six LiP4 tetrahedra. There are two shorter (2.32 Å) and two longer (2.61 Å) Ge–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a body-centered cubic geometry to seven Li1+ and one Ge4+ atom. In the second P3- site, P3- is bonded in a body-centered cubic geometry to six Li1+ and two equivalent Ge4+ atoms.},
doi = {10.17188/1751387},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}