COL  ICSD Collection Code 62928
 DATE Recorded Dec 19, 1988; updated Dec 30, 1988
 NAME Yttrium dibarium tricopper heptaoxide - prepared at T = 900 C
 FORM Y Ba2 Cu3 O7
      = Ba2 Cu3 O7 Y
 TITL Crystal structure of the Y Ba2 Cu3 O7 superconductor by single X-
      ray diffraction
 REF  Nature (London)
      NATUA 328 (1987) 606-607
 AUT  Calestani G, Rizzoli˙C
 CELL a=3.827 b=3.893 c=11.699 à=90.0 á=90.0 ç=90.0
      V=174.3 Z=1
 SGR  P m m m       (47) - orthorhombic
 CLAS mmm   (Hermann-Mauguin) - D2h (Schoenflies)
 PARM Atom__No OxStat  Wyck ---X--- ---Y--- ---Z---  -SOF-
      Y      1  3.000    1h  1/2     1/2     1/2
      Ba     1  2.000    2t  1/2     1/2     0.185
      Cu     1  3.000    1a  0.      0.      0.
      Cu     2  2.000    2q  0.      0.      0.3565
      O      1 -2.000    1e  0.      1/2     0.
      O      2 -2.000    2q  0.      0.      0.1566
      O      3 -2.000    2s  1/2     0.      0.3776
      O      4 -2.000    2r  0.      1/2     0.3765
˙
 TF   Atom   U(1,1)  U(2,2)  U(3,3)  U(1,2)  U(1,3)  U(2,3)
      Y  1    0.0123  0.0162  0.0001  0.0000  0.0000  0.0000
      Ba 1    0.0068  0.0045  0.0087  0.0000  0.0000  0.0000
      Cu 1    0.0144  0.0237  0.0032  0.0000  0.0000  0.0000
      Cu 2    0.0055  0.0057  0.0090  0.0000  0.0000  0.0000
      O  1    0.0587  0.0068  0.0035  0.0000  0.0000  0.0000
      O  2    0.0001  0.0226  0.0059  0.0000  0.0000  0.0000
      O  3    0.0023  0.0112  0.0168  0.0000  0.0000  0.0000
      O  4    0.0022  0.0256  0.0131  0.0000  0.0000  0.0000
 RVAL 0.054
 TEST At least one temperature factor is implausible or meaningless but 
      agrees with the value given in the paper. (Code 52)