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.