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Hydrothermal synthesis and crystal structure of BaV{sub 3}O{sub 8}

Journal Article · · Journal of Solid State Chemistry
A single crystal of a barium vanadium oxide BaV{sub 3}O{sub 8} in a mixed valence state of V(V) and V(IV) has been grown hydrothermally from VO(OH){sub 2f} and BaCl{sub 2}. The black crystal with a rod-like shape exhibits the monoclinic system P2{sub 1} with a = 7.4347(11) {angstrom}, b = 5.5512(7) {angstrom}, c = 8.2012(7) {angstrom},{beta} = 107.179(8){degrees}, and Z = 2. The structural analysis led to R = 0.058 and R{sub w} = 0.021 for 1579 unique reflections. BaV{sub 3}O{sub 8} was revealed to adopt a layered structure made up of V{sub 3}O{sub 8} layers stacking along the c-axis with interstitial Ba{sup 2+} ions. The V-O framework of the V{sub 3}O{sub 8} layer consists of VO{sub 4} tetrahedra and VO{sub 6} octahedra connected by sharing vertices. The valence states of the V sites are differentiated as V(V) in the tetrahedral sites and as V(IV) in the octahedral sites.
Sponsoring Organization:
USDOE
OSTI ID:
146444
Journal Information:
Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 2 Vol. 117; ISSN 0022-4596; ISSN JSSCBI
Country of Publication:
United States
Language:
English