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X-Ray Single-Crystal Studies of ZrRhGa, HfRhGa, and ZrRh0.710(4)In

Journal of Solid State Chemistry
Publication Date
DOI: 10.1006/jssc.2002.9591
  • Metal-Rich Compounds
  • Crystal Structure
  • Gallium
  • Indium.
  • Chemistry
  • Mathematics


Abstract ZrRhGa, HfRhGa, and ZrRh 0.710(4)In were prepared by arc melting of the elements under an argon atmosphere and subsequent annealing. The three compounds were investigated by X-ray diffraction on powders and single crystals: ZrNiAl-type, space group P 6 2 m, a=721.4(2) pm, c=336.7(2) pm, w R2=0.0366, 191 F 2 values, 14 parameters for ZrRhGa, a=724.2(3) pm, c=328.0(1) pm, w R2=0.0326, 191 F 2 values, 14 parameters for HfRhGa, and a=741.91(7) pm, c=335.8(1) pm, w R2=0.0339, 202 F 2 values, and 14 parameters for ZrRh 0.710(4)In. Anisotropic refinement of the Rh1 positions of ZrRhGa and HfRhGa showed extremely large U 33 values. These sites have been refined with a split position 00 z( 2e) instead of 000 ( 2a) with an occupancy of 50%. Both gallides have carefully been investigated by low-temperature X-ray data and electron diffraction. These data gave no indication for an ordering of the rhodium atoms. Structural motifs of both gallides are rhodium-centered trigonal prisms [Rh1Ga 6], [Rh2Zr 6], and [Rh2Hf 6], respectively. The prisms are condensed via common edges and faces. The Rh1 position in the indide is occupied only by 12% resulting in the composition ZrRh 0.710(4)In for the investigated crystal. The geometrical restrictions and chemical bonding of these intermetallics are discussed.

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