COL  ICSD Collection Code 72061
 DATE Recorded Aug 22, 1993
 NAME Octasodium tecto-hexaalumohexasilicate bis(deuteriooxide) 
      bis(dideuteriohydrate)
 MINR Sodalite - synthetic
 FORM Na8 (Al6 Si6 O24) (O D)2 (D2 O)2
      = D6 Al6 Na8 O28 Si6
 TITL Orientational disorder of the hydrogen dihydroxide anion, O2H3-, 
      in sodium hydroxosodalite dihydrate, Na8(Al6Si6O24)(OH)2.2H2O: 
      single-crystal X-ray and powder neutron diffraction and MAS NMR 
      and FT IR spectroscopy
 REF  Journal of Physical Chemistry
      JPCHA 96 (1992) 392-397
 AUT  Wiebcke M, Engelhardt˙G, Felsche˙J, Kempa˙P˙B, Sieger˙P, 
      Schefer˙J, Fischer˙P
 CELL a=8.860(50) b=8.860(50) c=8.860(50) ŕ=90.0 á=90.0 ç=90.0
      V=695.5 Z=1
 SGR  P -4 3 n      (218) - cubic
 CLAS -43m  (Hermann-Mauguin) - Td  (Schoenflies)
 PRS  cP54
 ANX  A3B3C4X14
 PARM Atom__No OxStat  Wyck -----X----- -----Y----- -----Z-----  -SOF-
      Al     1  3.000    6d  1/4         0.          1/2
      Si     1  4.000    6c  1/4         1/2         0.
      O      1 -2.000   24i  0.1391(2)   0.1499(2)   0.4382(1)
      Na     1  1.000    8e  0.1759(3)   0.1759(3)   0.1759(3)
      O      2 -2.000   24i  0.059(4)   -0.061(4)    0.114(2)      0.1667
      D      1  1.000   12f  0.061(3)    0.          0.            0.1667
      D      2  1.000    8e  0.8661(6)   0.8661(6)   0.8661(6)     0.5
 WYCK i2 e d c
 ITF  Al  1   U=0.0067(6)
 ITF  Si  1   U=0.0067(6)
 ITF  O   1   U=0.0106(4)
 ITF  Na  1   U=0.018(1)
 ITF  O   2   U=0.038(4)
 ITF  D   1   U=0.08(1)
 ITF  D   2   U=0.054(1)
 REM  TEM 173
 REM  NDP (neutron diffraction from a powder)
 REM  RVP
 RVAL 0.047