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

✍ Scribed by Markus F. Zumdick; Rainer Pöttgen; Vasyl' I. Zaremba; Rolf-Dieter Hoffmann

Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
205 KB
Volume
166
Category
Article
ISSN
0022-4596

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✦ Synopsis

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: ZrNiAltype, space group P % 62m; a ¼ 721:4ð2Þ pm, c ¼ 336:7ð2Þ pm, wR2 ¼ 0:0366; 191 F 2 values, 14 parameters for ZrRhGa, a ¼ 724:2ð3Þ pm, c ¼ 328:0ð1Þ pm, wR2 ¼ 0:0326; 191 F 2 values, 14 parameters for HfRhGa, and a ¼ 741:91ð7Þ pm, c ¼ 335:8ð1Þ pm, wR2 ¼ 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 00z (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. # 2002 Elsevier Science (USA)

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