Calcioaravaipaite
Kampf A R, Merlino S, Pasero M
American Mineralogist 88 (2003) 430-435
Order-disorder approach to calcioaravaipaite, [PbCa2Al(F,OH)9]:
The crystal structure of the triclinic MDO polytype
_database_code_amcsd 0002987
7.722 7.516 12.206 98.86 96.91 90.00 C-1
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .74457 .52709 .10749 .0202  .0207  .0218  .0185  .0001  .0041  .0027
Ca1   .3925  .6497  .6144 .0120  .0105  .0102  .0160  .0001  .0030  .0028
Ca2   .8932  .6576  .6137 .0118  .0115  .0082  .0155 -.0009  .0017  .0013
Al1   .2511  .5453  .1813 .0142   .013   .014   .018 -.0003   .003   .005
F1    .0673  .5655  .2648  .017   .013   .020   .020  -.004   .006   .004
F2    .8449  .8984  .2749  .021   .018   .028   .020   .003   .004   .005
F3    .1484  .6981  .0948  .030   .016   .015   .023   .000   .002  -.006
F4    .4319  .5265  .1002  .022   .030   .025   .035   .004  -.002   .013
F5    .6474  .8513  .0930  .027   .013   .009   .014  -.001   .002  -.001
F6    .3443  .7371  .2768  .019   .016   .010   .015   .002   .004   .000
F7    .1273  .6210  .4991  .012   .019   .022   .027   .007   .004   .013
F8    .6201  .6304  .5053  .014   .027   .015   .020  -.003   .004   .003
F9    .6854  .5714  .2905  .021   .028   .021   .029  -.008  -.004  -.002