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Title: Materials Data on Li3MnP2 by Materials Project

Abstract

Li3MnP2 is Fluorite-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent P+2.50- atoms to form LiP4 tetrahedra that share corners with four equivalent MnP4 tetrahedra, corners with twelve LiP4 tetrahedra, edges with two equivalent MnP4 tetrahedra, and edges with four equivalent LiP4 tetrahedra. All Li–P bond lengths are 2.56 Å. In the second Li1+ site, Li1+ is bonded to four equivalent P+2.50- atoms to form LiP4 tetrahedra that share corners with eight LiP4 tetrahedra, corners with eight equivalent MnP4 tetrahedra, and edges with six LiP4 tetrahedra. All Li–P bond lengths are 2.56 Å. In the third Li1+ site, Li1+ is bonded to four equivalent P+2.50- atoms to form LiP4 tetrahedra that share corners with sixteen LiP4 tetrahedra, edges with two equivalent LiP4 tetrahedra, and edges with four equivalent MnP4 tetrahedra. All Li–P bond lengths are 2.31 Å. Mn2+ is bonded to four equivalent P+2.50- atoms to form MnP4 tetrahedra that share corners with four equivalent MnP4 tetrahedra, corners with twelve LiP4 tetrahedra, and edges with six LiP4 tetrahedra. All Mn–P bond lengths are 2.31 Å. P+2.50- is bondedmore » in a body-centered cubic geometry to six Li1+ and two equivalent Mn2+ atoms.« less

Publication Date:
Other Number(s):
mp-1222455
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; Li3MnP2; Li-Mn-P
OSTI Identifier:
1656336
DOI:
https://doi.org/10.17188/1656336

Citation Formats

The Materials Project. Materials Data on Li3MnP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656336.
The Materials Project. Materials Data on Li3MnP2 by Materials Project. United States. doi:https://doi.org/10.17188/1656336
The Materials Project. 2020. "Materials Data on Li3MnP2 by Materials Project". United States. doi:https://doi.org/10.17188/1656336. https://www.osti.gov/servlets/purl/1656336. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1656336,
title = {Materials Data on Li3MnP2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li3MnP2 is Fluorite-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent P+2.50- atoms to form LiP4 tetrahedra that share corners with four equivalent MnP4 tetrahedra, corners with twelve LiP4 tetrahedra, edges with two equivalent MnP4 tetrahedra, and edges with four equivalent LiP4 tetrahedra. All Li–P bond lengths are 2.56 Å. In the second Li1+ site, Li1+ is bonded to four equivalent P+2.50- atoms to form LiP4 tetrahedra that share corners with eight LiP4 tetrahedra, corners with eight equivalent MnP4 tetrahedra, and edges with six LiP4 tetrahedra. All Li–P bond lengths are 2.56 Å. In the third Li1+ site, Li1+ is bonded to four equivalent P+2.50- atoms to form LiP4 tetrahedra that share corners with sixteen LiP4 tetrahedra, edges with two equivalent LiP4 tetrahedra, and edges with four equivalent MnP4 tetrahedra. All Li–P bond lengths are 2.31 Å. Mn2+ is bonded to four equivalent P+2.50- atoms to form MnP4 tetrahedra that share corners with four equivalent MnP4 tetrahedra, corners with twelve LiP4 tetrahedra, and edges with six LiP4 tetrahedra. All Mn–P bond lengths are 2.31 Å. P+2.50- is bonded in a body-centered cubic geometry to six Li1+ and two equivalent Mn2+ atoms.},
doi = {10.17188/1656336},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}