Structural investigations of YPO4, ScPO4, and LuPO4

WO Milligan, DF Mullica, GW Beall, LA Boatner - Inorganica Chimica Acta, 1982 - Elsevier
WO Milligan, DF Mullica, GW Beall, LA Boatner
Inorganica Chimica Acta, 1982Elsevier
Abstract YPO 4, ScPO 4, and LuPO 4 crystallize in the tetragonal system conforming to
space group model I4 1/amd (D 19 4h, No. 141), Z= 4. The refined crystal structures have
been determined from three-dimensional single-crystal X-ray diffraction data. Final least-
squares full-matrix refinement yielded respective R-values of 0.024, 0.028, and 0.038. The
metal atom in each compound is 8-coordinated to oxygen atoms. The resultant polyhedron
is viewed as two interpenetrating tetrahedra forming a bis-bisphenoid (D 2d). The phosphate …
Abstract
YPO4, ScPO4, and LuPO4 crystallize in the tetragonal system conforming to space group model I41/ amd (D194h, No. 141), Z = 4. The refined crystal structures have been determined from three-dimensional single-crystal X-ray diffraction data. Final least-squares full-matrix refinement yielded respective R-values of 0.024, 0.028, and 0.038. The metal atom in each compound is 8-coordinated to oxygen atoms. The resultant polyhedron is viewed as two interpenetrating tetrahedra forming a bis-bisphenoid (D2d). The phosphate group in each compound is a distorted tetrahedron. Important bond and contact distances and bond angles as well as Ortep-II drawings are presented to foster a wider base for future investigations related to potential employment of lanthanide orthophosphates as hosts for radioactive nuclear waste.
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