Materials Data on SmAsPt by Materials Project
SmPtAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing SmAs6Pt6 cuboctahedra. All Sm–Pt bond lengths are 3.27 Å. All Sm–As bond lengths are 3.13 Å. In the second Sm3+ site, Sm3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing SmAs6Pt6 cuboctahedra. All Sm–Pt bond lengths are 3.12 Å. All Sm–As bond lengths are 3.26 Å. Pt2- is bonded in a 9-coordinate geometry to six Sm3+ and three equivalent As1- atoms. All Pt–As bond lengths are 2.51 Å. As1- is bonded in a 9-coordinate geometry to six Sm3+ and three equivalent Pt2- atoms.