TY - JOUR
T1 - Crystal structure of a new 1/1-rational approximant for the Al-Cu-Ru icosahedral phase
AU - Sugiyama, Kazumasa
AU - Kato, Takeshi
AU - Ogawa, Toshiyuki
AU - Hiraga, Kenji
AU - Saito, Kaichi
N1 - Funding Information:
This work has been financially supported by a Grant-in-Aid for Scientific Research (B) (No. 11440101) from the Ministry of Education, Science and Culture of Japan and also by CREST of Japan Science and Technology Corporation.
PY - 2000/3/14
Y1 - 2000/3/14
N2 - The structure of a cubic Al57.3Cu31.4Ru11.3 phase, which is referred to as an 1/1-rational approximant of an Al-Cu-Ru icosahedral phase, was determined by means of a single crystal X-ray structural analysis: space group Pm3 (No. 200), a = 12.3773(8) angstroms, V = 1896.2(2) angstroms3, MoKα (λ = 0.71073 angstrom); atoms/cell = 122.6, F(000) = 2645, Dcalc = 5.04 Mg/m3, R = 0.0495 for the observed 1140 reflections with Fobs.>4.0σ(Fobs.). Cu- and Ru-rich icosidodecahedral atom clusters are recognized at the 1a and 1b sites of the unit cell, respectively. The atom clusters possess Ru centers and the surrounding first shells of about 2.5 angstroms in diameter show heavily disordered features with partial breakdown of the local icosahedral symmetry. These chemically and topologically decorated Mackay-like atom clusters should be classified as the fundamental structural units for the F-type Al-Cu-Ru icosahedral phase.
AB - The structure of a cubic Al57.3Cu31.4Ru11.3 phase, which is referred to as an 1/1-rational approximant of an Al-Cu-Ru icosahedral phase, was determined by means of a single crystal X-ray structural analysis: space group Pm3 (No. 200), a = 12.3773(8) angstroms, V = 1896.2(2) angstroms3, MoKα (λ = 0.71073 angstrom); atoms/cell = 122.6, F(000) = 2645, Dcalc = 5.04 Mg/m3, R = 0.0495 for the observed 1140 reflections with Fobs.>4.0σ(Fobs.). Cu- and Ru-rich icosidodecahedral atom clusters are recognized at the 1a and 1b sites of the unit cell, respectively. The atom clusters possess Ru centers and the surrounding first shells of about 2.5 angstroms in diameter show heavily disordered features with partial breakdown of the local icosahedral symmetry. These chemically and topologically decorated Mackay-like atom clusters should be classified as the fundamental structural units for the F-type Al-Cu-Ru icosahedral phase.
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U2 - 10.1016/S0925-8388(99)00677-5
DO - 10.1016/S0925-8388(99)00677-5
M3 - Article
AN - SCOPUS:0033895051
SN - 0925-8388
VL - 299
SP - 169
EP - 174
JO - Journal of Alloys and Compounds
JF - Journal of Alloys and Compounds
IS - 1-2
ER -