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Title: Materials Data on Pr(ReO4)2 by Materials Project

Abstract

Pr(ReO4)2 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one Pr(ReO4)2 sheet oriented in the (0, 0, 1) direction. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent ReO4 tetrahedra. All Pr–O bond lengths are 2.39 Å. Re+6.50+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with three equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There is one shorter (1.74 Å) and three longer (1.78 Å) Re–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Re+6.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom.

Publication Date:
Other Number(s):
mp-754632
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; Pr(ReO4)2; O-Pr-Re
OSTI Identifier:
1272761
DOI:
10.17188/1272761

Citation Formats

The Materials Project. Materials Data on Pr(ReO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272761.
The Materials Project. Materials Data on Pr(ReO4)2 by Materials Project. United States. doi:10.17188/1272761.
The Materials Project. 2020. "Materials Data on Pr(ReO4)2 by Materials Project". United States. doi:10.17188/1272761. https://www.osti.gov/servlets/purl/1272761. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1272761,
title = {Materials Data on Pr(ReO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr(ReO4)2 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one Pr(ReO4)2 sheet oriented in the (0, 0, 1) direction. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent ReO4 tetrahedra. All Pr–O bond lengths are 2.39 Å. Re+6.50+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with three equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There is one shorter (1.74 Å) and three longer (1.78 Å) Re–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Re+6.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom.},
doi = {10.17188/1272761},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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