Scapolite
Peterson R C, Donnay G, Le Page Y
The Canadian Mineralogist 17 (1979) 53-61
Sulfate disorder in scapolite
_database_code_amcsd 0005159
12.158 12.158 7.573 90 90 90 I4/m
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .35783 .28298     .5 .73  .0124  .0162  .0351  .0039      0      0
Na   .35783 .28298     .5 .23  .0124  .0162  .0351  .0039      0      0
Si   .33916 .40831      0 .59  .0049  .0062  .0096 -.0017      0      0
Al   .66023 .91311 .79306 .41  .0078  .0077  .0066 -.0012  .0001  .0007
O1   .45805  .3481      0      .0092  .0161  .0226  .0011      0      0
O2    .6867 .87309      0      .0204  .0131  .0105  .0049      0      0
O3   .34942 .94961  .7928      .0195  .0169  .0178 -.0001 -.0003 -.0045
O5   .26668 .36560  .8261      .0022  .0152  .0308  .0046 -.0165 -.0040
O7     .507   .385     .5 .16  .0020  .0035  .0060 -.0197      0      0
O8     .602   .533     .5 .16  .0040  .0160  .0060 -.0140      0      0
O9     .415   .535     .5 .16  .0070  .0080  .0012  .0050      0      0
O10   .5996  .5177   .606 .04  .0320  .0360  .0430 -.0020 -.0170 -.0040
C     .4925  .5130     .5 .17
S        .5     .5     .5 .29  .0214  .0214  .0194      0      0      0
Cl       .5     .5     .5 .03  .0214  .0214  .0194      0      0      0