Dumortierite
Alexander V D, Griffen D T, Martin T J
American Mineralogist 71 (1986) 786-794
Crystal chemistry of some Fe- and Ti-poor dumortierites
Sample: #10, USNM 96698, from Petaca, New Mexco, USA
_database_code_amcsd 0001024
11.800 20.222 4.699 90 90 90 Pmcn
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1    .75 .4055 .0881      .0024  .0132  .0054      0      0  .0000
Si2  .5237 .3282 .5875 .99  .0058  .0089  .0057 -.0005  .0002 -.0002
Al1    .75 .2497 .3993 .91  .0031  .0100  .0824      0      0 -.0013
Al2  .6104 .4722 .5582 .98  .0023  .0076  .0054  .0006  .0002 -.0001
Al3   .491 .4308 .0599 .98  .0029  .0078  .0041 -.0010  .0002  .0001
Al4  .3577 .2892 .0577 .99  .0051  .0096  .0085  .0008  .0008 -.0008
B      .25 .4153 .2325 .98  .0001  .0105  .0042      0      0  .0003
O1     .75 .4532 .3791      .0061  .0183  .0075      0      0 -.0044
O2     .75 .3267 .1503      .0078  .0173  .0137      0      0  .0027
O3   .6387 .4249 .8964      .0067  .0163  .0063 -.0025 -.0017  .0032
O4   .4355 .2821 .3997      .0079  .0175  .0089  .0008  .0005 -.0002
O5   .5491 .3933 .3969      .0107  .0105  .0054  .0024 -.0012  .0015
O6   .4544 .3505 .8827      .0114  .0123  .0081 -.0020  .0022 -.0024
O7   .6387 .2868 .6484      .0108  .0175  .0129  .0028 -.0035  .0010
O8     .25 .3506 .1701      .0001  .0092  .0281      0      0 -.0007
O9   .3511 .4486 .2553      .0037  .0122  .0179 -.0008  .0009 -.0032
O10    .25 .2724 .7615      .0051  .0159  .0057      0      0 -.0011
O11  .4661 .4881 .7512      .0036  .0139  .0044 -.0018  .0009  .0012