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Mo3O5(OH)(2)(AsO4)2: A new solid with a structure related to beta VOPO4

Rangan, KK and Joubert, O and Verbaere, A and Tournoux, M and Gopalakrishnan, J (1997) Mo3O5(OH)(2)(AsO4)2: A new solid with a structure related to beta VOPO4. In: European Journal of Solid State and Inorganic Chemistry, 34 (6). pp. 511-525.

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Official URL: http://www.sciencedirect.com/science/journal/09924...


Mo3O5(OH)(2)(AsO4)(2) was prepared at 100 degrees C from an aqueous solution of MoO3 containing arsenic and nitric acids. It crystallises in the monoclinic system, a = 13.024(1)Angstrom, b = 7.2974 (2) Angstrom, c = 13.281(1) Angstrom, beta = 121.124(8)degrees, Z = 4, space group C2/c. The structure was determined by Rietveld refinement from X-ray powder diffraction data. The three-dimensional structure is built up from MoO6 and MoO5OH octahedra and AsO4 tetrahedra sharing corners. The octahedra share two opposite vertices forming zigzag chains that run parallel to [10(1) over bar]. Each AsO4 tetrahedron is connected to four octahedra, two of which belong to the same chain, thus linking three chains. The resulting covalent framework is similar to that of beta VOPO4 in which one tetrahedral P site for every three is empty. The two protons are likely to be bonded to two (out of four) unshared oxygen atoms surrounding this empty site. All the Mo atoms are strongly off-centred in the octahedra; and the off-centring is disordered. The disorder is discussed in terms of Mo shifts perturbed by a disordered hydrogen bonding scheme.

Item Type: Journal Article
Publication: European Journal of Solid State and Inorganic Chemistry
Publisher: Elsevier Science
Additional Information: Copyright of this article belongs to Elsevier Science.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 29 Aug 2011 08:56
Last Modified: 29 Aug 2011 08:56
URI: http://eprints.iisc.ac.in/id/eprint/38307

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