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Australian Journal of Chemistry Australian Journal of Chemistry Society
An international journal for chemical science
RESEARCH ARTICLE

Crystal Structures of the ('Maximally') Hydrated Scandium Halides, ScX3.nH2O (X = Cl, Br, I)

Kevin C. Lim, Brian W. Skelton and Allan H. White

Australian Journal of Chemistry 53(10) 875 - 878
Published: 2000

Abstract

Low-temperature single-crystal X-ray structure determinations are recorded for the (‘maximally’) hydrated scandium(III) trihalides, ScX3.nH2O (X = Cl, Br, I). The chloride and bromide are isomorphous heptahydrates (n =7), ScX3.7H2O =[Sc(OH2)7]X3, monoclinic, space group P2/n, a ~ 7.6, b ~ 7.7, c ~ 9.6 Å, β ~ 99˚, Z = 2, R 0.051, 0.039 for No 1253, 1339 ‘observed’ (F > 4σ (F)) reflections, respectively, the metal atom disposed in a homoleptic environment of seven water molecule oxygen atoms arranged in an essentially pentagonal-bipyramidal disposition, site symmetry 2, Sc–O(axial) 2.095 Å, Sc–O(eq) 2.157(3)–2.209(4) Å. The iodide is an octahydrate, ScI3.8H2O =[Sc(OH2)7]I3.H2O, monoclinic P21/c, Z = 4, R 0.022 for No 3243; the seven-coordinate metal atom environment here is well distorted from the pentagonal-bipyramidal norm, the largest angle in the coordination sphere being 162.4(1)˚, subtended by Sc–O 2.109(3), 2.128(3) Å, the remaining Sc–O ranging between 2.157(3)–2.219(3) Å.

Keywords: Scandium; crystal structures.

https://doi.org/10.1071/CH00120

© CSIRO 2000

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