About the crystal structure of CuNb(OH, F)[sub 7] [center dot] 3H[sub 2]O
- Universite du Maine, Le Mans (France)
Single crystals of CuNb(OH, F)[sub 7] [center dot] 3H[sub 2]O have been grown from aqueous HF solutions. Their crystal structure is isotypic with that of CuTiF[sub 6] [center dot] 4H[sub 2]O and consists of bent chains of trans-F-linked alternate Cu(H[sub 2]O, OH, F)[sub 6] and Nb(OH, F)[sub 6] octahedra, running along with [101] direction of the monoclinic unit cell (P2[sub 1]/c, a = 5.590(1) [angstrom], b = 9.978(4) [angstrom], c = 7.544(1) [angstrom], and [beta] = 103.36(1)[degrees]; R = 0.0272 and R[sub w] = 0.0272 for 459 reflections and 58 parameters). Bond valence calculations reveal a partial disorder between OH[sup [minus]], F[sup [minus]], and water molecules on all the nonbridging anionic sites. The CuX[sub 6] octahedra are classically distorted by the Jahn-Teller effect. A network of O-H...F hydrogen bonds ensures the tridimensional cohesion of the structure.
- OSTI ID:
- 5089085
- Journal Information:
- Journal of Solid State Chemistry; (United States), Journal Name: Journal of Solid State Chemistry; (United States) Vol. 108:2; ISSN 0022-4596; ISSN JSSCBI
- Country of Publication:
- United States
- Language:
- English
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400201* -- Chemical & Physicochemical Properties
COPPER COMPOUNDS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
FLUORIDES
FLUORINE COMPOUNDS
HALIDES
HALOGEN COMPOUNDS
HYDRATES
HYDROGEN COMPOUNDS
HYDROXIDES
LATTICE PARAMETERS
MONOCLINIC LATTICES
NIOBIUM COMPOUNDS
OXYGEN COMPOUNDS
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TRANSITION ELEMENT COMPOUNDS