Magnesiocopiapite
Majzlan J, Kiefer B
The Canadian Mineralogist 44 (2006) 1227-1237
An X-ray and neutron-diffraction study of synthetic ferricopiapite,
Fe14/3(SO4)6(OD,OH)2(D2O,H2O)20, and ab-initio calculations on the structure of
magnesiocopiapite MgFe4(SO4)6(OH)2(H2O)20
Note: hypothetical structure from ab-initio calculations
_database_code_amcsd 0006122
7.5515 18.601 7.4460 95.49 102.71 98.71 P-1
atom     x     y     z
MgA      0     0     0
Fe1  .7836 .3157 .5376
Fe2  .6077 .6695 .8163
S1   .8382 .7405 .2361
S2   .8059 .4207 .2086
S3   .6299 .1921 .1771
O1   .7549 .6773 .0812
O2   .6913 .7694 .3067
O3   .0488 .2915 .6072
O4   .0427 .2029 .8290
O5   .6095 .3955 .0995
O6   .8230 .4928 .3208
O7   .8619 .3643 .3318
O8   .9304 .4260 .0804
O9   .5299 .1163 .1457
O10  .5024 .7573 .8859
O11  .7777 .1995 .0733
O12  .7133 .2141 .3828
Oh13 .4671 .6593 .5547
Ow14 .6826 .2754 .7538
Ow15 .8785 .4122 .7113
Ow16 .2359 .9472 .0913
Ow17 .7046 .5743 .7514
Ow18 .0331 .9841 .7333
Ow19 .8361 .7282 .7434
Ow20 .1595 .1012 .0446
Ow21 .7558 .9231 .4343
Ow22 .5139 .5566 .2777
Ow23 .5966 .0801 .5477
H1   .4954 .6221 .4641
H2   .2597 .7512 .1468
H3   .4536 .7387 .2660
H4   .1086 .5869 .1523
H5   .0131 .5541 .3082
H6   .2208 .8973 .0229
H7   .3514 .9729 .0723
H8   .1650 .4265 .1880
H9   .3709 .4759 .2558
H10  .8823 .9822 .3193
H11  .0697 .0419 .3717
H12  .1451 .2796 .3835
H13  .0428 .2503 .1741
H14  .2955 .1103 .0886
H15  .1275 .1390 .9643
H16  .6272 .9274 .4448
H17  .7478 .8705 .3939
H18  .6356 .5405 .2943
H19  .4928 .5773 .1597
H20  .6787 .0735 .6649
H21  .6542 .1239 .5051