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Materials Data on Sm(AsPd)2 by Materials Project

Sm(PdAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm2+ is bonded to eight equivalent As3- atoms to form SmAs8 hexagonal bipyramids that share corners with sixteen equivalent PdAs4 tetrahedra, edges with four equivalent SmAs8 hexagonal bipyramids, edges with eight equivalent PdAs4 tetrahedra, and faces with four equivalent SmAs8 hexagonal bipyramids. All Sm–As bond lengths are 3.27 Å. Pd2+ is bonded to four equivalent As3- atoms to form PdAs4 tetrahedra that share corners with eight equivalent SmAs8 hexagonal bipyramids, corners with four equivalent PdAs4 tetrahedra, edges with four equivalent SmAs8 hexagonal bipyramids, and edges with four equivalent PdAs4 tetrahedra. All Pd–As bond lengths are 2.55 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Sm2+, four equivalent Pd2+, and one As3- atom. The As–As bond length is 2.50 Å.

36 MATERIALS SCIENCE↗

Materials Data on SmAsPd by Materials Project

SmPdAs crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sm is bonded to six equivalent Pd and six equivalent As atoms to form a mixture of distorted edge and face-sharing SmAs6Pd6 cuboctahedra. There are three shorter (3.08 Å) and three longer (3.26 Å) Sm–Pd bond lengths. There are three shorter (3.08 Å) and three longer (3.26 Å) Sm–As bond lengths. Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent As atoms. All Pd–As bond lengths are 2.54 Å. As is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗