Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 11 (November 2007)


inorganic compounds



Acta Cryst. (2007). C63, i99-i101    [ doi:10.1107/S0108270107044046 ]

Three hexafluoridoiridates(IV), Ca[IrF6]·2H2O, Sr[IrF6]·2H2O and Ba[IrF6]

A. I. Smolentsev, A. I. Gubanov and A. M. Danilenko

Abstract: The structures of the hexafluoridoiridates(IV) of calcium, Ca[IrF6]·2H2O [calcium hexafluoridoiridate(IV) dihydrate], strontium, Sr[IrF6]·2H2O [strontium hexafluoridoiridate(IV) dihydrate], and barium, Ba[IrF6] [barium hexafluoridoiridate(IV)], have been determined by single-crystal X-ray analysis. The first two compounds are isomorphous. Their metal cations are eight-coordinated in a distorted square-antiprismatic coordination environment, and their anions are represented by an almost ideal octahedron. These two structures can be described as frameworks in which all atoms occupy general positions. Sr[RhF6] and Ba[RhF6] have a different space group (R\overline{3}m, from powder diffraction data) but similar cell dimensions. The structures are very close to that of Ba[IrF6]. The cation is in a cuboctahedral coordination. The metal atoms are located on special positions of \overline{3} symmetry, while the F atoms are in general positions.

Formula: Ca[IrF6]·2H2O, Sr[IrF6]·2H2O and Ba[IrF6]


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Structure factor file (CIF format) (88.2 kbytes)
[ doi:10.1107/S0108270107044046/iz3025Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (93.3 kbytes)
[ doi:10.1107/S0108270107044046/iz3025IIsup3.hkl ]
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (10.0 kbytes)
[ doi:10.1107/S0108270107044046/iz3025IIIsup4.hkl ]
Contains datablock III


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