An order-disorder transition in Sr2IrD5: Evidence for square pyramidal IrD5 units from powder neutron diffraction data |
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| Authors: | Jian Zhuang Julius M Hastings Lester M Corliss R Bau Chiau-Yu Wei R O Moyer Jr |
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| Institution: | Department of Chemistry, Brookhaven National Laboratory, Upton, New York 11973 USA;Department of Chemistry, University of Southern California, University Park, Los Angeles, California 90007 USA;Department of Chemistry, Trinity College, Hartford, Connecticut 06106 USA |
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| Abstract: | Neutron diffraction data have been collected on a powdered sample of Sr2IrD5 over a range of temperatures. The compound, which is cubic at room temperature, has been found to exhibit a gradual transformation to a tetragonal phase in the temperature range 200-140 K. As a result of the transition, deuterium atoms which randomly occupy sixfold positions in the cubic phase, become tetragonally ordered. A small fraction of the cubic phase remained untransformed at 4.2 K. Both the cubic and tetragonal structures are consistent with square pyramidal IrD5 units with average Ir---D distances of 1.714 and 1.718 Å, respectively. Agreement factors, R1, for the two structural analyses are 3.44 and 4.94%. |
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| Keywords: | Author to whom correspondence should be addressed |
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