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Na 2.22 Mn 0.87 In 1.68 (PO 4)3 , sodium manganese indium tris-(phosphate) (2.22/0.87/1.68), was obtained in the form of single crystals by a flux method and was structurally characterized by single-crystal X-ray diffraction. The compound belongs to the alluaudite structure type (space group C 2/ c ) with general formula X (2) X (1) M (1) M (2) 2 (PO 4 ) 3 . The X (2) and X (1) sites are partially occupied by sodium [occupancy 0.7676 (17) and 1/2] while the M (1) and M (2) sites are fully occupied within a mixed distribution of sodium/manganese(II) and manganese(II)/indium, respectively. The three-dimensional anionic framework is built up on the basis of M (2) 2 O 10 dimers that share opposite edges with M (1)O 6 octa-hedra, thus forming infinite chains extending parallel to [10]. The linkage between these chains is ensured by PO 4 tetra-hedra through common vertices. The three-dimensional network thus constructed delimits two types of hexa-gonal channels, resulting from the catenation of M (2) 2 O 10 dimers, M (1)O 6 octa-hedra and PO 4 tetra-hedra through edge- and corner-sharing. The channels are occupied by Na + cations with coordination numbers of seven and eight.

acta crystallographica. section e, crystallographic communications

Synthesis, crystal structure and charge-distribution validation of a new alluaudite-type phosphate, Na2.22Mn0.87In1.68(PO4)3