Hydrothermal Synthesis and Structural Characterization of Two Calcium Vanadium(III) Phosphates: Ca2V(PO4)(HPO4)2H2O and Ca2V(PO4)(P2O7)

K. H. Lii, N. S. Wen, C. C. Su, B. R. Chueh

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The new phosphate Ca2V(PO4)(HPO4)2-H2O and the dehydrated compound Ca2V(P04)(P2O7) have been synthesized hydrothermally at 230 and 450 °C, respectively, and characterized by single-crystal X-ray diffraction and thermogravimetric analysis. Crystal data: Ca2V(PO4)(HPO4)2-H2O, monoclinic, C2/c, a = 7.531 (2) Å, b = 15.522 (4) Å, c = 9.149 (2) Å, π = 113.52 (2)°, Z = 4, R = 0.0215 for 954 unique reflections; Ca2V(PO4)(P2O7), monoclinic, P21/c, a = 6.391 (2) Å, b = 6.6362 (9) Å, c = 19.071 (2) Å, π = 99.26 (2)°, Z = 4, R = 0.029 for 1389 unique reflections. The structure of the hydrated compound consists of 1[V(PO4)2/2(HPO4)4/2] along the [101] direction, which are held together by hydrogen bonding and O-Ca-O bonds. The structure of the dehydrated compound contains intersecting channels where the calcium atoms are located. The framework consists of corner-sharing VO6octahedra, PO4tetrahedra, and P2O7groups. The connectivity formula is 3Ca2[V(PO4)2/2(P2O7)1/3(P2O7)2/3].

Original languageEnglish
Pages (from-to)439-442
Number of pages4
JournalInorganic Chemistry
Issue number3
StatePublished - 1 Feb 1992


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