Materials Data on PmH3 by Materials Project
PmH3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm3+ is bonded in a distorted body-centered cubic geometry to fourteen H1- atoms. There are eight shorter (2.32 Å) and six longer (2.68 Å) Pm–H bond lengths. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Pm3+ atoms to form HPm4 tetrahedra that share corners with twelve equivalent HPm6 octahedra, corners with sixteen equivalent HPm4 tetrahedra, edges with six equivalent HPm4 tetrahedra, and faces with four equivalent HPm6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second H1- site, H1- is bonded to six equivalent Pm3+ atoms to form HPm6 octahedra that share corners with six equivalent HPm6 octahedra, corners with twenty-four equivalent HPm4 tetrahedra, edges with twelve equivalent HPm6 octahedra, and faces with eight equivalent HPm4 tetrahedra. The corner-sharing octahedral tilt angles are 0°.