SmH3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Sm(1) is bonded in a distorted body-centered cubic geometry to six equivalent H(2) and eight equivalent H(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Sm(1) atoms to form HSm4 tetrahedra that share corners with twelve equivalent H(2)Sm6 octahedra, corners with sixteen equivalent H(1)Sm4 tetrahedra, edges with six equivalent H(1)Sm4 tetrahedra, and faces with four equivalent H(2)Sm6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second H site, H(2) is bonded to six equivalent Sm(1) atoms to form HSm6 octahedra that share corners with six equivalent H(2)Sm6 octahedra, corners with twenty-four equivalent H(1)Sm4 tetrahedra, edges with twelve equivalent H(2)Sm6 octahedra, and faces with eight equivalent H(1)Sm4 tetrahedra. The corner-sharing octahedra are not tilted.
SmH3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Sm(1) is bonded in a distorted body-centered cubic geometry to six equivalent H(2) and eight equivalent H(1) atoms. All Sm(1)-H(2) bond lengths are 2.66 Å. All Sm(1)-H(1) bond lengths are 2.30 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Sm(1) atoms to form HSm4 tetrahedra that share corners with twelve equivalent H(2)Sm6 octahedra, corners with sixteen equivalent H(1)Sm4 tetrahedra, edges with six equivalent H(1)Sm4 tetrahedra, and faces with four equivalent H(2)Sm6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second H site, H(2) is bonded to six equivalent Sm(1) atoms to form HSm6 octahedra that share corners with six equivalent H(2)Sm6 octahedra, corners with twenty-four equivalent H(1)Sm4 tetrahedra, edges with twelve equivalent H(2)Sm6 octahedra, and faces with eight equivalent H(1)Sm4 tetrahedra. The corner-sharing octahedra are not tilted.