Abstract
Investigations of the quasi-ternary system Na3PO4–Mg3(PO4)2–NdPO4 allowed us to obtain the new phosphate heptasodium tridecamagnesium neodymium dodecakisphosphate, Na7Mg13Nd(PO4)12, by applying a flux method. The crystal structure is isotypic with that of the previously reported Na7Mg13 Ln(PO4)12 (Ln = Eu, La) compounds. It consists of a complex three-dimensional framework built up from an NdO8 polyhedron (m symmetry), an MO6 octahedron statistically occupied by M = Mg and Na, and eight MgOx (x = 5, 6) polyhedra (four with site symmetry m), linked either directely by sharing corners, edges and faces, or by one of the eight unique PO4 tetrahedra through common corners. Two of the PO4 tetrahedra are statisticaly disordered over a mirror plane. The whole structure can be described as resutling from an assembly of two types of structural units, viz [Mg4 MP4O22]∞ 2 layers extending parallel to (100) and stacked along [100], and [Mg4NdP4O36]∞ 1 undulating chains running along the [010] direction. The six different Na+ cations (five with site symmetry m and one with 0.5 occupancy) are situated in six distinct cavities delimited by the framework. The structure was refined from data of a racemic twin.
Highlights
Investigations of the quasi-ternary system Na3PO4– Mg3(PO4)2–NdPO4 allowed us to obtain the new phosphate heptasodium tridecamagnesium neodymium dodecakisphosphate, Na7Mg13Nd(PO4)12, by applying a flux method
The crystal structure is isotypic with that of the previously reported Na7Mg13Ln(PO4)12 (Ln = Eu, La) compounds. It consists of a complex three-dimensional framework built up from an NdO8 polyhedron (m symmetry), an MO6 octahedron statistically occupied by M = Mg and Na, and eight MgOx (x = 5, 6) polyhedra, linked either directely by sharing corners, edges and faces, or by one of the eight unique PO4 tetrahedra through common corners
Two of the PO4 tetrahedra are statisticaly disordered over a mirror plane
Summary
Key indicators: single-crystal X-ray study; T = 293 K; mean (Mg–O) = 0.004 A; disorder in main residue; R factor = 0.057; wR factor = 0.107; data-to-parameter ratio = 28.2. The crystal structure is isotypic with that of the previously reported Na7Mg13Ln(PO4) (Ln = Eu, La) compounds. It consists of a complex three-dimensional framework built up from an NdO8 polyhedron (m symmetry), an MO6 octahedron statistically occupied by M = Mg and Na, and eight MgOx (x = 5, 6) polyhedra (four with site symmetry m), linked either directely by sharing corners, edges and faces, or by one of the eight unique PO4 tetrahedra through common corners. The structure was refined from data of a racemic twin
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