Materials Data on LuAsPt by Materials Project
LuPtAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing LuAs6Pt6 cuboctahedra. All Lu–Pt bond lengths are 3.22 Å. All Lu–As bond lengths are 3.00 Å. In the second Lu3+ site, Lu3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of distorted edge and face-sharing LuAs6Pt6 cuboctahedra. All Lu–Pt bond lengths are 3.00 Å. All Lu–As bond lengths are 3.22 Å. Pt2- is bonded in a 9-coordinate geometry to six Lu3+ and three equivalent As1- atoms. All Pt–As bond lengths are 2.47 Å. As1- is bonded in a 9-coordinate geometry to six Lu3+ and three equivalent Pt2- atoms.