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.