Materials Data on Pr2UP3 by Materials Project
UPr2P3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U3+ is bonded to six P3- atoms to form UP6 octahedra that share corners with two equivalent UP6 octahedra, corners with four equivalent PrP6 octahedra, edges with two equivalent UP6 octahedra, and edges with ten equivalent PrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are four shorter (2.80 Å) and two longer (2.91 Å) U–P bond lengths. Pr3+ is bonded to six P3- atoms to form PrP6 octahedra that share corners with two equivalent UP6 octahedra, corners with four equivalent PrP6 octahedra, edges with five equivalent UP6 octahedra, and edges with seven equivalent PrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Pr–P bond distances ranging from 2.91–3.01 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to two equivalent U3+ and four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing PPr4U2 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second P3- site, P3- is bonded to two equivalent U3+ and four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing PPr4U2 octahedra. The corner-sharing octahedra tilt angles range from 0–7°.