Bobtraillite
McDonald A M, Chao G Y
The Canadian Mineralogist 43 (2005) 747-758
Bobtraillite, (Na,Ca)13Sr11(Zr,Y,Nb)14Si42B6O132(OH)12*12H2O,
a new mineral species from Mont Saint-Hilaire, Quebec: description,
structure determination and relationship to benitoite and wadeite
Locality: Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0006016
19.720 19.720 9.9788 90 90 120 P-3c1
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Nal   .7823  .8913  .9997 .837  .028   .024   .027   .031   .012   .002   .013
Na2   .6719  .6718  .4947  .24  .048   .037   .034   .050   .001   .021   .025
Sr   .43604 .56401 .50000 .916 .0140  .0126  .0124  .0152  .0049 -.0012 -.0010
Zr1  .56592 .78293 .50000      .0088  .0100  .0096  .0068  .0050  .0001  .0001
Zr2       0      0     .5      .0066  .0076  .0076  .0045  .0038      0      0
Si1   .8702      0    .75      .0118  .0108   .013   .012  .0067  .0001  .0002
Si2  .69223 .91164  .7501      .0123  .0094  .0128  .0126  .0040  .0002  .0005
Si3  .56438 .65133  .7500      .0106  .0117  .0116  .0113  .0079 -.0008 -.0005
Si4  .42971 .74333  .7500      .0095  .0089  .0104  .0104  .0058  .0003  .0002
B     .4798  .4798    .75       .015   .018   .018   .010   .009  -.001   .001
O1    .4776  .7846  .6164      .0156   .018   .016   .014   .009   .006   .003
O2    .4779  .6932  .3824      .0150   .015   .016   .013   .007  -.006  -.006
O3    .6517  .8683  .6164       .026   .032   .030   .015   .016  -.009  -.008
O4    .7809  .9237  .7497      .0216   .011   .009   .041   .002   .001   .003
O5    .9999  .0885  .3860       .026   .026   .025   .027   .012   .001   .008
O6    .5585  .8674  .3870      .0158   .017   .021   .011   .011  -.001   .004
O7    .5584  .6911  .6141      .0143   .015   .015   .011   .006   .001   .003
O8    .6516  .7836  .3843       .026   .036   .028   .015   .016   .010   .001
O9    .4893  .5618  .7498      .0146   .010   .010   .020   .003  -.001  -.001
O10   .4005  .6492  .7498      .0119   .003   .003   .027  -.001  -.001   .001
O11   .6423  .6423    .75       .013   .013   .013   .017   .009   .001  -.001
O12   .7028      0    .75       .020   .009   .010   .041   .005  -.002  -.040
OH13  .4418  .4418  .6216       .025   .026   .027   .024   .015  -.006  -.007
Wat14 .7762  .9998  .0907       .058   .058   .049   .061   .023   .015   .000