Magnesiodumortierite
Ferraris G, Ivaldi G, Chopin C
European Journal of Mineralogy 7 (1995) 167-174
Magnesiodumortierite, a new mineral from very-high-pressure
rocks (Western Alps). Part I: Crystal structure
_database_code_amcsd 0006582
11.91 20.40 4.730 90 90 90 Pmcn
atom     x     y     z occ Biso
MgM1   3/4 .2497 .3910 .49 1.49
TiM1   3/4 .2497 .3910 .19 1.49
FeM1   3/4 .2497 .3910 .01 1.49
AlM2 .6109 .4731 .5588 .95  .40
AlM3 .4922 .4321 .0610 .95  .40
AlM4 .3653 .2920 .0660 .71  .72
MgM4 .3653 .2920 .0660 .25  .72
B      1/4 .4155  .231      .72
SiT1   3/4 .4075 .0879      .78
SiT2 .5242 .3302 .5893 .94  .49
PT2  .5242 .3302 .5893 .01  .49
O1     3/4 .4552 .3776      .86
O2     3/4 .3289 .1535  .5 1.22
OH2    3/4 .3289 .1535  .5 1.22
O3   .6409 .4262 .8985      .69
O4   .4375 .2839 .4160      .97
O5   .5514 .3945 .3972      .74
O6   .4563 .3539 .8790      .96
O7   .6378 .2890 .6546  .5 1.21
OH7  .6378 .2890 .6546  .5 1.21
O8     1/4 .3501 .1852     1.14
O9   .3502 .4478 .2550 .77  .77
OH9  .3502 .4478 .2550 .23  .77
O10    1/4 .2752 .7552     1.21
O11  .4673 .4886 .7499      .65
H      1/4  .312 -.332      2.3