Materials Data on Eu(ErS2)2 by Materials Project
Eu(ErS2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Er–S bond distances ranging from 2.66–2.75 Å. In the second Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Er–S bond distances ranging from 2.69–2.74 Å. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 3.04–3.29 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing SEu2Er3 square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms. In the third S2- site, S2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing SEu2Er3 trigonal bipyramids. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms.