Dumortierite
Groat L A, Evans R J, Grew E S, Pieczka A
The Canadian Mineralogist 50 (2012) 855-872
The crystal chemistry of As- and Sb-bearing dumortierite
Sample: D27
Locality: west shore of Lake Uvildy in the Ilmen Mountains, southern Urals, Russia
_database_code_amcsd 0019560
4.6901 11.7874 20.1872 90 90 90 Pnma
atom      x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al1A   .332    .75  .2494  .187  .0074
Al1   .3954    .75  .2498   .43  .0074
Al1B   .475    .75  .2503  .187  .0074
Al2  .55796 .61038 .47240  .977  .0049  .0050  .0046  .0051  .0001 -.0002 -.0003
Al3  .05982 .49106 .43092  .981  .0050  .0049  .0048  .0052  .0000  .0001  .0000
Al4  .05801 .35854 .28907  .974  .0065  .0074  .0059  .0061  .0004 -.0006  .0009
Si1   .0879    .75 .40474  .966  .0056  .0036  .0035  .0096   .000 -.0001   .000
Si2  .58827 .52567 .32776  .962 .00565  .0047  .0071  .0052  .0002  .0001 -.0017
As1    .118    .75  .3875  .027   .008
As2    .616  .5634  .3158 .0301   .006
Sb1    .057    .75   .358 .0069   .008
Sb2    .555   .597  .3063 .0075   .006
B     .2266    .25 .41616        .0073  .0090  .0045  .0085   .000  .0009   .000
O1    .3775    .75 .45410  .962  .0050  .0038  .0031  .0080   .000 -.0005   .000
O1SB   .406    .75   .397  .038   .005
O2    .1498    .75 .32539  .966  .0123  .0129  .0125  .0114   .000  .0029   .000
O3    .8957 .63919 .42401        .0064  .0064  .0059  .0068  .0000  .0006 -.0007
O4    .4000 .43608 .28232        .0063  .0065  .0056  .0068  .0008  .0003 -.0004
O5    .3953 .55058 .39335        .0064  .0068  .0060  .0063  .0001 -.0002 -.0001
O6    .8813 .45370 .35027  .969  .0054  .0047  .0061  .0052 -.0001  .0000 -.0011
O6SB   .899   .510   .323  .031   .005
O7    .6478 .64005 .28647  .966  .0118  .0136  .0104  .0114 -.0019  .0006  .0010
O8    .1674    .25 .35049        .0089  .0159  .0047  .0062   .000 -.0014   .000
O9    .2545 .35107 .44822        .0072  .0104  .0052  .0059 -.0003 -.0008 -.0012
O10   .7598    .25 .27233        .0074  .0053  .0058  .0111   .000  .0003   .000
O11   .7503 .46626 .48804        .0048  .0036  .0055  .0052  .0000 -.0001 -.0002