Materials Data on Sm2AsSe by Materials Project

Sm2AsSe is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm+2.50+ is bonded to three equivalent As3- and three equivalent Se2- atoms to form a mixture of corner and edge-sharing SmAs3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–As bond lengths are 2.93 Å. All Sm–Se bond lengths are 3.01 Å. As3- is bonded to six equivalent Sm+2.50+ atoms to form AsSm6 octahedra that share corners with six equivalent SeSm6 octahedra, edges with six equivalent AsSm6 octahedra, and edges with six equivalent SeSm6 octahedra. The corner-sharing octahedral tilt angles are 2°. Se2- is bonded to six equivalent Sm+2.50+ atoms to form SeSm6 octahedra that share corners with six equivalent AsSm6 octahedra, edges with six equivalent AsSm6 octahedra, and edges with six equivalent SeSm6 octahedra. The corner-sharing octahedral tilt angles are 2°.