Materials Data on Er(ReO4)2 by Materials Project

Abstract

Er(ReO4)2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Er(ReO4)2 sheet oriented in the (0, 0, 1) direction. Er3+ is bonded to six O2- atoms to form ErO6 octahedra that share corners with six equivalent ReO4 tetrahedra. There are three shorter (2.23 Å) and three longer (2.24 Å) Er–O bond lengths. Re+6.50+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with three equivalent ErO6 octahedra. The corner-sharing octahedra tilt angles range from 19–20°. There is one shorter (1.75 Å) and three longer (1.78 Å) Re–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one Re+6.50+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one Re+6.50+ atom. The O–Re bond length is 1.78 Å. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one Re+6.50+ atom. The O–Re bond length is 1.78 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. The O–Re bond length is 1.75 Å. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one Re+6.50+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one Re+6.50+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one Re+6.50+ atom. The O–Re bond length is 1.78 Å.