American Mineralogist Crystal Structure Database

1 matching records for this search.

La0.515Ca0.485Ba2Cu2.36Al0.64O6.78
 
Hartweg M, Nick B, Walz L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=2001
Acta Crystallographica C46 (1990) 2001-2003
Structure of (LaxCa1-x)Ba2Cu2(AlyCu10y)O6.78 with x = 0.52 and y = 0.64
_database_code_amcsd 0010194
3.908 3.908 11.647 90 90 90 P4/mmm
atom      x    y      z  occ  Uiso
La       .5   .5     .5 .515 .0062
Ca       .5   .5     .5 .485 .0062
Ba       .5   .5 .19132      .0137
Cu1       0    0      0  .36 .0315
Al1       0    0      0  .64 .0315
Cu2       0    0  .3536      .0061
O1a    .094 .094   .133 .162  .023
O1b       0    0   .157 .352  .017
O(2+3)    0   .5  .3639      .0084
O(4+5)   .5    0      0  .39  .023
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