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

Title: Materials Data on Pr2FeAs2RuO2 by Materials Project

Abstract

Pr2RuFeAs2O2 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Pr–As bond lengths are 3.36 Å. All Pr–O bond lengths are 2.36 Å. Ru2+ is bonded to four equivalent As3- atoms to form RuAs4 tetrahedra that share corners with four equivalent RuAs4 tetrahedra and edges with four equivalent FeAs4 tetrahedra. All Ru–As bond lengths are 2.53 Å. Fe2+ is bonded to four equivalent As3- atoms to form FeAs4 tetrahedra that share corners with four equivalent FeAs4 tetrahedra and edges with four equivalent RuAs4 tetrahedra. All Fe–As bond lengths are 2.53 Å. As3- is bonded in a 2-coordinate geometry to four equivalent Pr3+, two equivalent Ru2+, and two equivalent Fe2+ atoms. O2- is bonded to four equivalent Pr3+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra.

Publication Date:
Other Number(s):
mp-1219984
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; Pr2FeAs2RuO2; As-Fe-O-Pr-Ru
OSTI Identifier:
1678084
DOI:
https://doi.org/10.17188/1678084

Citation Formats

The Materials Project. Materials Data on Pr2FeAs2RuO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678084.
The Materials Project. Materials Data on Pr2FeAs2RuO2 by Materials Project. United States. doi:https://doi.org/10.17188/1678084
The Materials Project. 2020. "Materials Data on Pr2FeAs2RuO2 by Materials Project". United States. doi:https://doi.org/10.17188/1678084. https://www.osti.gov/servlets/purl/1678084. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1678084,
title = {Materials Data on Pr2FeAs2RuO2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2RuFeAs2O2 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Pr–As bond lengths are 3.36 Å. All Pr–O bond lengths are 2.36 Å. Ru2+ is bonded to four equivalent As3- atoms to form RuAs4 tetrahedra that share corners with four equivalent RuAs4 tetrahedra and edges with four equivalent FeAs4 tetrahedra. All Ru–As bond lengths are 2.53 Å. Fe2+ is bonded to four equivalent As3- atoms to form FeAs4 tetrahedra that share corners with four equivalent FeAs4 tetrahedra and edges with four equivalent RuAs4 tetrahedra. All Fe–As bond lengths are 2.53 Å. As3- is bonded in a 2-coordinate geometry to four equivalent Pr3+, two equivalent Ru2+, and two equivalent Fe2+ atoms. O2- is bonded to four equivalent Pr3+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra.},
doi = {10.17188/1678084},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}