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Title: Materials Data on Pr2O3 by Materials Project

Abstract

Pr2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing PrO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are four shorter (2.40 Å) and two longer (2.49 Å) Pr–O bond lengths. In the second Pr3+ site, Pr3+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing PrO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Pr–O bond lengths are 2.43 Å. O2- is bonded to four Pr3+ atoms to form a mixture of distorted corner and edge-sharing OPr4 trigonal pyramids.

Publication Date:
Other Number(s):
mp-16705
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; Pr2O3; O-Pr
OSTI Identifier:
1192112
DOI:
10.17188/1192112

Citation Formats

The Materials Project. Materials Data on Pr2O3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1192112.
The Materials Project. Materials Data on Pr2O3 by Materials Project. United States. doi:10.17188/1192112.
The Materials Project. 2017. "Materials Data on Pr2O3 by Materials Project". United States. doi:10.17188/1192112. https://www.osti.gov/servlets/purl/1192112. Pub date:Mon Jul 24 00:00:00 EDT 2017
@article{osti_1192112,
title = {Materials Data on Pr2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing PrO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are four shorter (2.40 Å) and two longer (2.49 Å) Pr–O bond lengths. In the second Pr3+ site, Pr3+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing PrO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Pr–O bond lengths are 2.43 Å. O2- is bonded to four Pr3+ atoms to form a mixture of distorted corner and edge-sharing OPr4 trigonal pyramids.},
doi = {10.17188/1192112},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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