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: #2, BYU 12-5027, from Yuma Co., Arizona, USA
_database_code_amcsd 0001022
11.786 20.209 4.692 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 .4053 .0877      .0042  .0114  .0031      0      0  .0009
Si2  .5240 .3281 .5876 .99  .0082  .0070  .0032 -.0004  .0004  .0003
Al1    .75 .2502 .3981 .93  .0067  .0122  .0836      0      0 -.0043
Al2  .6103 .4722 .5573 .98  .0044  .0058  .0026  .0003 -.0003 -.0004
Al3  .4913 .4307 .0595 .97  .0044  .0048  .0018 -.0006  .0000  .0001
Al4  .3581 .2893 .0578 .99  .0073  .0075  .0053  .0011 -.0005 -.0002
B      .25 .4159 .2284      .0030  .0012  .0114      0      0  .0003
O1     .75 .4537 .3788      .0058  .0213  .0060      0      0 -.0038
O2     .75 .3258 .1488      .0102  .0216  .0099      0      0  .0024
O3   .6390 .4242 .8967      .0076  .0171  .0045 -.0006  .0002  .0022
O4   .4364 .2824 .4014      .0104  .0143  .0054 -.0025  .0021 -.0018
O5   .5496 .3933 .3972      .0135  .0070  .0061 -.0009 -.0015  .0005
O6   .4537 .3504 .8846      .0137  .0093  .0066 -.0021  .0030 -.0018
O7   .6396 .2868 .6479      .0154  .0129  .0091  .0016 -.0023  .0009
O8     .25 .3500 .1685      .0038  .0102  .0212      0      0 -.0032
O9   .3507 .4482 .2553      .0059  .0109  .0119 -.0041  .0011 -.0021
O10    .25 .2723 .7603      .0048  .0145  .0060      0      0 -.0022
O11  .4663 .4881 .7505      .0057  .0072  .0047  .0006  .0004  .0000