Two new barium-vanadium(IV) phases: Ba(VO){sub 2}(SeO{sub 3}){sub 2}(HSeO{sub 3}){sub 2}, the first barium vanadium selenite, and Ba{sub 8}(VO){sub 6}(PO{sub 4}){sub 2}(HPO{sub 4}){sub 11}{center_dot}3H{sub 2}O, a compound built up from two types of one-dimensional chains
- Univ. of Houston, TX (United States)
- Exxon Research and Engineering Co., Annandale, NJ (United States)
The hydrothermal syntheses, X-ray single-crystal structures, and some properties of Ba(VO){sub 2}(SeO{sub 3}){sub 2}(HSeO{sub 3}){sub 2} and Ba{sub 8}(VO){sub 6}(PO{sub 4}){sub 2}(HPO{sub 4}){sub 11}{center_dot}3H{sub 2}O are described. Ba(VO){sub 2}(SeO{sub 3}){sub 2}(HSeO{sub 3}){sub 2} contains a three-dimensional network of VO{sub 6} and (H)SeO{sub 3} polyhedra, linked via V-O-Se bonds. The Ba cation is 10-coordinate, the VO{sub 6} group contains a short vanadyl V{double_bond}O bond typical of V{sup IV}, and the (H)SeO{sub 3} groups are pyramidal. Magnetic susceptibility data are consistent with V{sup IV} and show paramagnetic behavior from 4 to 300 K. Crystal data for Ba(VO){sub 2}(SeO{sub 3}){sub 2}(HSeO{sub 3}){sub 2}:M{sub r} = 781.06, monoclinic, space group P2{sub 1}/c (No. 14), a = 9.680(3) {angstrom}, b = 7.024(2) {angstrom}, c = 9.882(4) {angstrom}, {beta} = 116.42(3){degrees}, V = 601.75 {angstrom}{sup 3}, Z = 2, R = 3.89%, R{sub w} = 3.64% [1637 observed reflections with I > 3{sigma}(I)]. Ba{sub 8}(VO){sub 6}(PO{sub 4}){sub 2}(HPO{sub 4}){sub 11}{center_dot}3H{sub 2}O contains a complex network of VO{sub 6} and PO{sub 4}/HPO{sub 4} groups, which form two different types of one-dimensional chains: one chain contains fairly regular V{sup IV}O{sub 6} and (H)PO{sub 4} groups; the other is built up from distorted V{sup IV}O{sub 6} octahedra and (hydrogen) phosphate groups. 10- and 13-coordinate Ba{sup 2+} cations complete the structure, which shows antiferromagnetic ordering of the V{sup IV} centers at {approximately}20 K. Crystal data for Ba{sub 8}(VO){sub 6}(PO{sub 4}){sub 2}(HPO{sub 4}){sub 11}{center_dot}3H{sub 2}O: M{sub r} = 2800.05, monoclinic, space group C2/m (No. 12), a = 31.685(11) {angstrom}, b = 5.208(2) {angstrom}, c = 7.784(3) {angstrom}, {beta} = 90.59(3){degrees}, V = 1284.5(7) {angstrom}{sup 3}, Z = 1, R = 4.03%, and R{sub w} = 5.28% [1892 observed reflections with I > 3{sigma}(I)].
- OSTI ID:
- 70182
- Journal Information:
- Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 1 Vol. 116; ISSN 0022-4596; ISSN JSSCBI
- Country of Publication:
- United States
- Language:
- English
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