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Title: Materials Data on LaPO4 by Materials Project

Abstract

LaPO4 is Zircon-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. La3+ is bonded to eight equivalent O2- atoms to form distorted LaO8 hexagonal bipyramids that share corners with four equivalent PO4 tetrahedra, edges with four equivalent LaO8 hexagonal bipyramids, and edges with two equivalent PO4 tetrahedra. There are four shorter (2.48 Å) and four longer (2.61 Å) La–O bond lengths. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent LaO8 hexagonal bipyramids and edges with two equivalent LaO8 hexagonal bipyramids. All P–O bond lengths are 1.55 Å. O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one P5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-8133
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; LaPO4; La-O-P
OSTI Identifier:
1282233
DOI:
10.17188/1282233

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LaPO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282233.
Persson, Kristin, & Project, Materials. Materials Data on LaPO4 by Materials Project. United States. doi:10.17188/1282233.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LaPO4 by Materials Project". United States. doi:10.17188/1282233. https://www.osti.gov/servlets/purl/1282233. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1282233,
title = {Materials Data on LaPO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LaPO4 is Zircon-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. La3+ is bonded to eight equivalent O2- atoms to form distorted LaO8 hexagonal bipyramids that share corners with four equivalent PO4 tetrahedra, edges with four equivalent LaO8 hexagonal bipyramids, and edges with two equivalent PO4 tetrahedra. There are four shorter (2.48 Å) and four longer (2.61 Å) La–O bond lengths. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent LaO8 hexagonal bipyramids and edges with two equivalent LaO8 hexagonal bipyramids. All P–O bond lengths are 1.55 Å. O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one P5+ atom.},
doi = {10.17188/1282233},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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