Structure determination of a complex tubular uranyl phenylphosphonate, (UO{sub 2}){sub 3}(HO{sub 3}PC{sub 6}H{sub 5}){sub 2}(O{sub 3}PC{sub 6}H{sub 5}){sub 2}{center_dot}H{sub 2}O, from conventional x-ray powder diffraction data

Journal Article · Tue Mar 12 23:00:00 EST 1996 · Inorganic Chemistry

DOI:https://doi.org/10.1021/ic951209u· OSTI ID:263761

Poojary, D M ^[1]; Cabeza, A; Aranda, A G ^[2]

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1. Texas A&M Univ. College Station, TX (United States)
2. Universidad de Malaga (Spain); and others

The three-dimensional structure of a complex tubular uranyl phosphonate, (UO{sub 2}){sub 3}(HO{sub 3}PC{sub 6}H{sub 5}){sub 2}(O{sub 3}PC{sub 6}H{sub 5}){sub 2}(O{sub 3}PC{sub 6}H{sub 5}){sub 2} {center_dot} H{sub 2}O, was determined ab initio from laboratory X-ray powder diffraction data and refined by the Rietveld method. The crystals belong to the space group P2{sub 1}2{sub 1}2{sub 1}, with {alpha} = 17.1966(2) {Angstrom}, b = 7.2125(2) {Angstrom}, c = 27.8282(4) {Angstrom}, and Z = 4. The structure consists of three independent uranium atoms, among which two are seven-coordinated and the third is eight-coordinated. These metal atoms are connected by four different phosphonate groups to form a one-dimensional channel structure along the b axis. The phenyl groups are arranged on the outer periphery of the channels, and their stacking forces keep the channels intact in the lattice. The determination of this structure which contains 50 non-hydrogen atoms in the asymmetric unit, from conventional X-ray powder data, represents significant progress in the application of powder techniques to structure of complex inorganic compounds, including organometallic compounds.

• OSTI ID: 263761
• Journal Information: Inorganic Chemistry, Journal Name: Inorganic Chemistry Journal Issue: 6 Vol. 35; ISSN 0020-1669; ISSN INOCAJ
• Country of Publication: United States
• Language: English

Related Subjects

40 CHEMISTRY
CRYSTAL STRUCTURE
HYDRATES
PHOSPHONATES
URANYL COMPOUNDS
X-RAY DIFFRACTION