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Title: Materials Data on Pr7O12 by Materials Project

Abstract

Pr7O12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Pr+3.43+ sites. In the first Pr+3.43+ site, Pr+3.43+ is bonded in a distorted octahedral geometry to six equivalent O2- atoms. All Pr–O bond lengths are 2.37 Å. In the second Pr+3.43+ site, Pr+3.43+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pr–O bond distances ranging from 2.40–2.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pr+3.43+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. In the second O2- site, O2- is bonded to four Pr+3.43+ atoms to form a mixture of distorted edge and corner-sharing OPr4 tetrahedra.

Publication Date:
Other Number(s):
mp-22671
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; Pr7O12; O-Pr
OSTI Identifier:
1198881
DOI:
10.17188/1198881

Citation Formats

The Materials Project. Materials Data on Pr7O12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198881.
The Materials Project. Materials Data on Pr7O12 by Materials Project. United States. doi:10.17188/1198881.
The Materials Project. 2020. "Materials Data on Pr7O12 by Materials Project". United States. doi:10.17188/1198881. https://www.osti.gov/servlets/purl/1198881. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1198881,
title = {Materials Data on Pr7O12 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr7O12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Pr+3.43+ sites. In the first Pr+3.43+ site, Pr+3.43+ is bonded in a distorted octahedral geometry to six equivalent O2- atoms. All Pr–O bond lengths are 2.37 Å. In the second Pr+3.43+ site, Pr+3.43+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pr–O bond distances ranging from 2.40–2.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pr+3.43+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. In the second O2- site, O2- is bonded to four Pr+3.43+ atoms to form a mixture of distorted edge and corner-sharing OPr4 tetrahedra.},
doi = {10.17188/1198881},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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