American Mineralogist Crystal Structure Database

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Davreuxite
Download hom/davreuxite.pdf
Sahl K, Jones P G, Sheldrick G M
Download am/vol69/AM69_783.pdf
American Mineralogist 69 (1984) 783-787
The crystal structure of davreuxite, MnAl6Si4O17(OH)2
_database_code_amcsd 0000955
9.518 5.753 12.040 90 108 90 P2_1/m
atom     x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn   .3516   .25 .6351       0.015  0.004  0.026      0  0.003      0
Si1  .8115   .25 .4796       0.009  0.001  0.013      0  0.002      0
Si2  .4962   .25 .3911       0.011  0.002  0.015      0  0.004      0
Si3  .6823   .25 .0966       0.008  0.001  0.014      0  0.002      0
Si4  .8992   .25 .8574       0.009  0.003  0.014      0  0.002      0
Al1  .3196   .25 .9032       0.010  0.004  0.015      0  0.001      0
Al2  .0906   .25 .1340       0.009  0.002  0.015      0  0.001      0
Al3  .9387 .9953 .3075       0.010  0.000  0.013  0.000  0.003  0.000
Al4  .4026 .0008 .1547       0.009  0.001  0.014  0.000  0.002  0.001
O1   .9844   .25 .9915 .015
O2   .4742   .25 .8548 .010
O3   .5279   .25 .1268 .011
O4   .7230   .25 .8375 .010
OH5  .3656   .25 .4535 .012
O6   .6499   .25 .4992 .011
O7   .2786   .25 .1501 .010
O8   .8290   .25 .2097 .012
O9   .9432   .25 .6047 .011
OH10 .0555   .25 .3790 .009
O11  .1720   .25 .7733 .010
O12  .8248 .0158 .4084 .009
O13  .6829 .0144 .0223 .009
O14  .0593 .9850 .2017 .010
O15  .4906 .0209 .3141 .011
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