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Title: P-T phase diagram and gold valence state of the perovskite-type mixed-valence compounds Cs[sub 2]Au[sub 2]X[sub 6] (X = Cl, Br, and I) under high pressures

Journal Article · · Journal of the American Chemical Society; (United States)
DOI:https://doi.org/10.1021/ja00104a016· OSTI ID:6617940
;  [1];  [2]; ;  [3]
  1. Kyoto Univ. (Japan)
  2. Inst. for Molecular Science, Okazaki (Japan)
  3. National Lab. for High Energy Physics, Tsukuba (Japan)

We have elucidated the structural P-T phase diagram of Cs[sub 2]Au[sub 2]X[sub 6] (X = Cl, Br, and I) under high pressures and high temperatures for the first time. When the pressure is applied at room temperature, the Cs[sub 2]Au[sub 2]X[sub 6] (X = Cl, Br, and I) compounds undergo a tetragonal-to-tetragonal phase transition at 11, 9, and 5.5 GPa, respectively. This transition is regarded as a band Jahn-Teller transition driven by the Au[sup I,III] [yields] Au[sup II] transition. The cubic perovskite structure appears under high pressures and high temperatures for all three compounds. For Cs[sub 2]Au[sub 2]Br[sub 6] and Cs[sub 2]Au[sub 2]I[sub 6], the cubic phase could be obtained as a metastable state at room temperature and ambient pressure. The Au valence states in the second tetragonal phase and the cubic phase are considered to be Au[sup II]. 23 refs., 16 figs.

OSTI ID:
6617940
Journal Information:
Journal of the American Chemical Society; (United States), Vol. 116:25; ISSN 0002-7863
Country of Publication:
United States
Language:
English