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Title: Materials Data on LiMgP by Materials Project

Abstract

LiMgP is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Mg2+ and four equivalent P3- atoms to form distorted LiMg4P4 tetrahedra that share corners with twelve equivalent PLi4Mg6 tetrahedra, edges with twelve equivalent LiMg4P4 tetrahedra, and faces with four equivalent PLi4Mg6 tetrahedra. All Li–Mg bond lengths are 2.50 Å. All Li–P bond lengths are 2.50 Å. Mg2+ is bonded in a 10-coordinate geometry to four equivalent Li1+ and six equivalent P3- atoms. All Mg–P bond lengths are 2.89 Å. P3- is bonded to four equivalent Li1+ and six equivalent Mg2+ atoms to form distorted PLi4Mg6 tetrahedra that share corners with six equivalent PLi4Mg6 tetrahedra, corners with twelve equivalent LiMg4P4 tetrahedra, faces with four equivalent LiMg4P4 tetrahedra, and faces with twelve equivalent PLi4Mg6 tetrahedra.

Publication Date:
Other Number(s):
mp-10178
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; LiMgP; Li-Mg-P
OSTI Identifier:
1186705
DOI:
https://doi.org/10.17188/1186705

Citation Formats

The Materials Project. Materials Data on LiMgP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186705.
The Materials Project. Materials Data on LiMgP by Materials Project. United States. doi:https://doi.org/10.17188/1186705
The Materials Project. 2020. "Materials Data on LiMgP by Materials Project". United States. doi:https://doi.org/10.17188/1186705. https://www.osti.gov/servlets/purl/1186705. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1186705,
title = {Materials Data on LiMgP by Materials Project},
author = {The Materials Project},
abstractNote = {LiMgP is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Mg2+ and four equivalent P3- atoms to form distorted LiMg4P4 tetrahedra that share corners with twelve equivalent PLi4Mg6 tetrahedra, edges with twelve equivalent LiMg4P4 tetrahedra, and faces with four equivalent PLi4Mg6 tetrahedra. All Li–Mg bond lengths are 2.50 Å. All Li–P bond lengths are 2.50 Å. Mg2+ is bonded in a 10-coordinate geometry to four equivalent Li1+ and six equivalent P3- atoms. All Mg–P bond lengths are 2.89 Å. P3- is bonded to four equivalent Li1+ and six equivalent Mg2+ atoms to form distorted PLi4Mg6 tetrahedra that share corners with six equivalent PLi4Mg6 tetrahedra, corners with twelve equivalent LiMg4P4 tetrahedra, faces with four equivalent LiMg4P4 tetrahedra, and faces with twelve equivalent PLi4Mg6 tetrahedra.},
doi = {10.17188/1186705},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}