Materials Data on ErAsPt by Materials Project
ErPtAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing ErAs6Pt6 cuboctahedra. All Er–Pt bond lengths are 3.23 Å. All Er–As bond lengths are 3.05 Å. In the second Er3+ site, Er3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing ErAs6Pt6 cuboctahedra. All Er–Pt bond lengths are 3.03 Å. All Er–As bond lengths are 3.22 Å. Pt2- is bonded in a 9-coordinate geometry to six Er3+ and three equivalent As1- atoms. All Pt–As bond lengths are 2.48 Å. As1- is bonded in a 9-coordinate geometry to six Er3+ and three equivalent Pt2- atoms.