DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Pr2SO6 by Materials Project

Abstract

Pr2O2SO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.37–2.86 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.50 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pr3+ atoms to form a mixture of distorted edge and corner-sharing OPr4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent Pr3+ and one S6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1209354
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Pr2SO6; O-Pr-S
OSTI Identifier:
1666816
DOI:
https://doi.org/10.17188/1666816

Citation Formats

The Materials Project. Materials Data on Pr2SO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1666816.
The Materials Project. Materials Data on Pr2SO6 by Materials Project. United States. doi:https://doi.org/10.17188/1666816
The Materials Project. 2019. "Materials Data on Pr2SO6 by Materials Project". United States. doi:https://doi.org/10.17188/1666816. https://www.osti.gov/servlets/purl/1666816. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1666816,
title = {Materials Data on Pr2SO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2O2SO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.37–2.86 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.50 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pr3+ atoms to form a mixture of distorted edge and corner-sharing OPr4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent Pr3+ and one S6+ atom.},
doi = {10.17188/1666816},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}