American Mineralogist Crystal Structure Database

1 matching records for this search.

YBa2Cu2.94O6.82
 
Brodt K, Fuess H, Paulus E F, Assmus W, Kowalewski J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=354
Acta Crystallographica C46 (1990) 354-358
Untwinned single crystals of the high-temperature superconductor
YBa2Cu3O7-x
_database_code_amcsd 0010104
3.836 3.883 11.686 90 90 90 Pmmm
atom   x   y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Y1    .5  .5     .5      .0053  .0060  .0049  .0051      0      0      0
Ba1   .5  .5 .18434      .0082  .0100  .0069  .0076      0      0      0
Cu1  .00 .00  .0000 .941 .0073  .0097  .0077  .0045      0      0      0
Cu2  .00 .00 .35588      .0060  .0052  .0043  .0083      0      0      0
O1   .00 .00  .1580 .921 .0106   .014   .011   .007      0      0      0
O2    .5 .00  .3786      .0073   .006   .006   .010      0      0      0
O3   .00  .5  .3786      .0070   .007   .004   .010      0      0      0
O4   .00  .5  .0000  .83  .019   .032   .011   .013      0      0      0
O5    .5 .00  .0000  .15  .018
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