Abstract
Department of Chemistry and Center for Advanced Materials Research, Oregon State University, Corvallis, OregonThe ab initio structure determination of Zr2(WO4)(PO4)2 from room temperature powder X-ray diffraction data is reported. This compound crystallizes in the orthorhombic space group Pnca with a = 9.35451(9), b = 12.31831(9), and c = 9.16711(8) Å. The structure is based on ZrO6 octahedra sharing corners with WO4 and PO4 tetrahedra. Although Zr2(WO4)(PO4)2 is isostructural with Fe2(MoO4)3 and its WO4 and PO4 tetrahedra are well ordered, no superstructure or change in space group is required to account for this ordering.
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