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Title: Materials Data on Li2PrP2 by Materials Project

Abstract

Li2PrP2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent P+2.50- atoms to form LiP4 tetrahedra that share corners with six equivalent PrP6 octahedra, corners with six equivalent LiP4 tetrahedra, edges with three equivalent PrP6 octahedra, and edges with three equivalent LiP4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–55°. There are three shorter (2.58 Å) and one longer (2.60 Å) Li–P bond lengths. Pr3+ is bonded to six equivalent P+2.50- atoms to form PrP6 octahedra that share corners with twelve equivalent LiP4 tetrahedra, edges with six equivalent PrP6 octahedra, and edges with six equivalent LiP4 tetrahedra. All Pr–P bond lengths are 2.95 Å. P+2.50- is bonded to four equivalent Li1+ and three equivalent Pr3+ atoms to form a mixture of distorted corner and edge-sharing PLi4Pr3 pentagonal bipyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7777
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; Li2PrP2; Li-P-Pr
OSTI Identifier:
1305256
DOI:
10.17188/1305256

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li2PrP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305256.
Persson, Kristin, & Project, Materials. Materials Data on Li2PrP2 by Materials Project. United States. doi:10.17188/1305256.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li2PrP2 by Materials Project". United States. doi:10.17188/1305256. https://www.osti.gov/servlets/purl/1305256. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1305256,
title = {Materials Data on Li2PrP2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li2PrP2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent P+2.50- atoms to form LiP4 tetrahedra that share corners with six equivalent PrP6 octahedra, corners with six equivalent LiP4 tetrahedra, edges with three equivalent PrP6 octahedra, and edges with three equivalent LiP4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–55°. There are three shorter (2.58 Å) and one longer (2.60 Å) Li–P bond lengths. Pr3+ is bonded to six equivalent P+2.50- atoms to form PrP6 octahedra that share corners with twelve equivalent LiP4 tetrahedra, edges with six equivalent PrP6 octahedra, and edges with six equivalent LiP4 tetrahedra. All Pr–P bond lengths are 2.95 Å. P+2.50- is bonded to four equivalent Li1+ and three equivalent Pr3+ atoms to form a mixture of distorted corner and edge-sharing PLi4Pr3 pentagonal bipyramids.},
doi = {10.17188/1305256},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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