AcH3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Ac(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 Ac(1) atoms to form HAc4 tetrahedra that share corners with twelve equivalent H(2)Ac6 octahedra, corners with sixteen equivalent H(1)Ac4 tetrahedra, edges with six equivalent H(1)Ac4 tetrahedra, and faces with four equivalent H(2)Ac6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second H site, H(2) is bonded to six equivalent Ac(1) atoms to form HAc6 octahedra that share corners with six equivalent H(2)Ac6 octahedra, corners with twenty-four equivalent H(1)Ac4 tetrahedra, edges with twelve equivalent H(2)Ac6 octahedra, and faces with eight equivalent H(1)Ac4 tetrahedra. The corner-sharing octahedra are not tilted.
AcH3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Ac(1) is bonded in a distorted body-centered cubic geometry to six equivalent H(2) and eight equivalent H(1) atoms. All Ac(1)-H(2) bond lengths are 2.91 Å. All Ac(1)-H(1) bond lengths are 2.52 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Ac(1) atoms to form HAc4 tetrahedra that share corners with twelve equivalent H(2)Ac6 octahedra, corners with sixteen equivalent H(1)Ac4 tetrahedra, edges with six equivalent H(1)Ac4 tetrahedra, and faces with four equivalent H(2)Ac6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second H site, H(2) is bonded to six equivalent Ac(1) atoms to form HAc6 octahedra that share corners with six equivalent H(2)Ac6 octahedra, corners with twenty-four equivalent H(1)Ac4 tetrahedra, edges with twelve equivalent H(2)Ac6 octahedra, and faces with eight equivalent H(1)Ac4 tetrahedra. The corner-sharing octahedra are not tilted.