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Title: Materials Data on LiCaP by Materials Project

Abstract

LiCaP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four equivalent P3- atoms to form LiP4 tetrahedra that share corners with eight equivalent CaP5 square pyramids, corners with eight equivalent LiP4 tetrahedra, edges with six equivalent CaP5 square pyramids, and edges with two equivalent LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.57–2.74 Å. Ca2+ is bonded to five equivalent P3- atoms to form CaP5 square pyramids that share corners with eight equivalent CaP5 square pyramids, corners with eight equivalent LiP4 tetrahedra, edges with six equivalent CaP5 square pyramids, and edges with six equivalent LiP4 tetrahedra. There are a spread of Ca–P bond distances ranging from 2.93–3.01 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Li1+ and five equivalent Ca2+ atoms.

Publication Date:
Other Number(s):
mp-1211088
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; LiCaP; Ca-Li-P
OSTI Identifier:
1699532
DOI:
https://doi.org/10.17188/1699532

Citation Formats

The Materials Project. Materials Data on LiCaP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699532.
The Materials Project. Materials Data on LiCaP by Materials Project. United States. doi:https://doi.org/10.17188/1699532
The Materials Project. 2020. "Materials Data on LiCaP by Materials Project". United States. doi:https://doi.org/10.17188/1699532. https://www.osti.gov/servlets/purl/1699532. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1699532,
title = {Materials Data on LiCaP by Materials Project},
author = {The Materials Project},
abstractNote = {LiCaP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four equivalent P3- atoms to form LiP4 tetrahedra that share corners with eight equivalent CaP5 square pyramids, corners with eight equivalent LiP4 tetrahedra, edges with six equivalent CaP5 square pyramids, and edges with two equivalent LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.57–2.74 Å. Ca2+ is bonded to five equivalent P3- atoms to form CaP5 square pyramids that share corners with eight equivalent CaP5 square pyramids, corners with eight equivalent LiP4 tetrahedra, edges with six equivalent CaP5 square pyramids, and edges with six equivalent LiP4 tetrahedra. There are a spread of Ca–P bond distances ranging from 2.93–3.01 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Li1+ and five equivalent Ca2+ atoms.},
doi = {10.17188/1699532},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}