Haineaultite
McDonald A M, Chao G Y
The Canadian Mineralogist 42 (2004) 769-780
Haineaultite, a new hydrated sodium calcium titanosilicate from
Mont Saint-Hilaire, Quebec: Description, structure determination and genetic implications
Locality: Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0005938
7.204 23.155 6.953 90 90 90 C222
atom      x      y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na    -.002  .1378 .2853  .63  .028   .005   .024   .054   .014  -.012  -.016
Ca      .25    .25 -.011 .125  .035   .039   .053   .018   .016      0      0
Ti1     .75    .75 .4982  .40 .0140  .0220  .0127  .0101  .0088      0      0
Nb1     .75    .75 .4982  .10 .0140  .0220  .0127  .0101  .0088      0      0
Ti2       0      0    .5 .125  .034   .014   .009   .090      0      0      0
Si1   .0013 .33863 .2296      .0105  .0135  .0119  .0068   .000  -.001  .0001
Si2   .0961 .43539  .495  .50 .0122   .012  .0079   .017 -.0013   .006  -.002
O1     .186  .3064  .304       .025   .005   .044   .027   .008   .001   .016
O2     .014  .4044 .3103       .026   .046   .014   .019  -.009   .003  -.007
O3        0  .3459     0  .50  .028   .050   .028   .008      0   .010      0
O4        0     .5    .5  .25  .021   .026   .006   .031      0      0      0
O5    -.185  .3061  .291       .028   .024   .023   .039  -.002  -.005   .028
O6       .5  .7197    .5  .50 .0150   .008   .014   .023      0  -.007      0
OH7       0  .1993     0  .50  .084   .124   .069   .061      0   -.02      0
OH8    .316  .4372  .471  .50  .033   .013   .018    .06  -.002   .004  -.006
Wat9  -.069     .5     0  .50   .21    .28    .22    .14      0      0    .13
Wat10     0      0  .218  .12   .03    .03    .02    .06    .02      0      0