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: #11, USNM 141800, from Ambositra, Madagascar
_database_code_amcsd 0001025
11.802 20.222 4.695 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 .4057 .0873 .99  .0024  .0084  .0027      0      0  .0002
Si2  .5246 .3282 .5873 .98  .0052  .0042  .0033 -.0012  .0002  .0002
Al1    .75 .2498 .3973 .85  .0079  .0119  .0547      0      0 -.0005
Al2  .6102 .4725 .5580 .98  .0028  .0038  .0032 -.0005  .0001 -.0002
Al3  .4910 .4310 .0597 .97  .0024  .0034  .0029  .0000  .0000 -.0003
Al4  .3585 .2890 .0576 .99  .0048  .0059  .0065  .0011 -.0005 -.0016
B      .25 .4156 .2267      .0066  .0072  .0064      0      0  .0026
O1     .75 .4539 .3765      .0040  .0134  .0077      0      0 -.0020
O2     .75 .3259 .1494      .0150  .0159  .0113      0      0  .0042
O3   .6397 .4241 .8953      .0064  .0115  .0062  .0008  .0006  .0008
O4   .4362 .2825 .3994      .0065  .0107  .0077 -.0020 -.0015  .0003
O5   .5504 .3933 .3956      .0069  .0086  .0073 -.0007 -.0003 -.0005
O6   .4539 .3501 .8807       .010  .0103  .0073 -.0032  .0005 -.0008
O7   .6397 .2867 .6478      .0136  .0155  .0130  .0014 -.0025  .0012
O8     .25 .3502 .1623      .0078  .0081  .0116      0      0 -.0022
O9   .3511 .4480 .2540      .0059  .0127  .0101 -.0012  .0011 -.0020
O10    .25 .2723 .7614      .0082  .0154  .0072      0      0 -.0011
O11  .4661 .4881 .7503      .0067  .0099  .0054 -.0007  .0007 -.0002