COL  ICSD Collection Code 4392
 DATE Recorded Aug 6, 1986; updated Aug 6, 1986
 NAME Copper alumosilicate hydrate *
 MINR Faujasite (hydrated, Cu-exchanged)
 MINR Zeolite
 FORM Cu.2059 (Al O2).4118 (Si O2) (H2 O)1.055
      = H2.11 Al.4118 Cu.2059 O3.8786 Si
 TITL Crystal Structures of Hydrated and Dehydrated Divalent-Copper-
      Exchanged Faujasite
 REF  Journal of Physical Chemistry
      JPCHA 79 (1975) 1874-1879
 AUT  Maxwell I E, de BoerÿJÿJ
 CELL a=24.713(5) b=24.713(5) c=24.713(5) à=90.0 á=90.0 ç=90.0
      V=15093.0 Z=136
 SGR  F d -3 m Z    (227) - cubic
 CLAS m-3m  (Hermann-Mauguin) - Oh  (Schoenflies)
 PRS  cF1030
 PARM Atom__No OxStat  Wyck -----X----- -----Y----- -----Z-----  -SOF-
      Cu     1  2.000   32e  0.071(1)    0.071(1)    0.071(1)      0.196(7)
      Al     1  3.000  192i  0.0362(1)   0.3037(1)   0.1247(1)     0.2917
      Si     1  4.000  192i  0.0362(1)   0.3037(1)   0.1247(1)     0.7038
      O      1 -2.000   96h  0.         -0.1062(4)   0.1062(4)
      O      2 -2.000   96g  0.0033(5)  -0.1431(3)   0.0033(5)
      O      3 -2.000   96g  0.0761(5)  -0.0329(3)   0.0761(5)
      O      4 -2.000   96g  0.0717(4)   0.3224(3)   0.0717(4)
      OH2    5 -2.000   32e  0.082(1)    0.168(1)    0.082(1)      0.84(4)
      OH2    6 -2.000   32e  0.016(2)   -0.266(2)    0.016(2)      0.70(4)
      OH2    7 -2.000    8a  1/8         1/8         1/8           0.10(1)
      OH2    8 -2.000  192i  0.173(3)   -0.197(3)    0.048(3)      0.16(2)
      OH2    9 -2.000  192i  0.075(3)   -0.201(3)    0.109(3)      0.16(2)
      OH2   10 -2.000   96g  0.031(6)    0.427(4)    0.031(6)      0.18(3)
      OH2   11 -2.000   96g  0.006(6)    0.386(4)    0.006(6)      0.12(2)
      H      1  1.000  192i287 Atoms not located in Unit Cell
      Cu     2  2.000   32e 22 Atoms not located in Unit Cell
 WYCK i3 h g5 e4 a
 ITF  Cu  1   B=3.6(7)
 ITF  Al  1   B=1.42(7)
 ITF  Si  1   B=1.42(7)
 ITF  O   1   B=2.9(7)
 ITF  O   2   B=2.7(7)
 ITF  O   3   B=2.6(7)
 ITF  O   4   B=2.2(7)
 ITF  O   5   B=3.5(4)
 ITF  O   6   B=5.9(4)
 ITF  O   7   B=0.1(1)
 ITF  O   8   B=11.4(2)
 ITF  O   9   B=10.1(2)
 ITF  O  10   B=10.8(3)
 ITF  O  11   B=5.7(2)
 RVAL 0.046
 TEST At least one temperature factor is implausible or meaningless but 
      agrees with the value given in the paper. (Code 52)
 TEST Deviation of the charge sum from zero tolerable. (Code 22)