Materials Data on PrH3 by Materials Project
PrH3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded to twelve H1- atoms to form a mixture of distorted face, edge, and corner-sharing PrH12 cuboctahedra. There are eight shorter (2.38 Å) and four longer (2.62 Å) Pr–H bond lengths. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing HPr4 tetrahedra. In the second H1- site, H1- is bonded in a square co-planar geometry to four equivalent Pr3+ atoms.
36 MATERIALS SCIENCE↗