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YBa2Cu2.94O6.82 |
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Brodt K, Fuess H, Paulus E F, Assmus W, Kowalewski J |
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Acta Crystallographica C46 (1990) 354-358 |
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Untwinned single crystals of the high-temperature superconductor |
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YBa2Cu3O7-x |
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_database_code_amcsd 0010104 |
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3.836 3.883 11.686 90 90 90 Pmmm |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Y1 .5 .5 .5 .0053 .0060 .0049 .0051 0 0 0 |
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Ba1 .5 .5 .18434 .0082 .0100 .0069 .0076 0 0 0 |
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Cu1 .00 .00 .0000 .941 .0073 .0097 .0077 .0045 0 0 0 |
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Cu2 .00 .00 .35588 .0060 .0052 .0043 .0083 0 0 0 |
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O1 .00 .00 .1580 .921 .0106 .014 .011 .007 0 0 0 |
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O2 .5 .00 .3786 .0073 .006 .006 .010 0 0 0 |
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O3 .00 .5 .3786 .0070 .007 .004 .010 0 0 0 |
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O4 .00 .5 .0000 .83 .019 .032 .011 .013 0 0 0 |
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O5 .5 .00 .0000 .15 .018 |
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