Ferricopiapite
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
Locality: synthetic
_database_code_amcsd 0006121
7.3926 18.3806 7.3361 93.933 102.212 98.900 P-1
atom     x      y     z  occ Uiso
FeA      0      0     0 .633 .015
Fe1  .7871  .3154 .5507      .014
Fe2  .5950  .6695 .8052      .015
S1   .8291  .7351 .2189      .030
S2   .8197  .4189 .2232      .018
S3   .6405  .1948 .1988      .031
O1    .736  .6698  .081      .029
O2    .691  .7671  .305      .007
O3    .047  .2939  .625      .043
O4    .056  .2062  .852      .016
O5    .628  .3921  .110      .008
O6    .846  .4923  .335      .027
O7    .880  .3614  .336      .008
O8    .936  .4215  .084      .025
O9    .560  .1156  .174      .014
O10   .510  .7602  .866      .004
O11   .788  .2130  .093      .024
O12   .726  .2190  .400      .031
Oh13  .459  .6623  .539      .014
Ow14  .695  .2725  .757      .037
Ow15  .859  .4113  .726      .012
Ow16  .232  .9478  .085      .134
Ow17  .692  .5723  .760      .020
Ow18  .050  .9839  .735      .154
Ow19  .830  .7298  .742      .033
Ow20  .178  .0917  .049      .106
Ow21  .770  .9100  .446      .076
Ow22  .534  .5597  .286      .024
Ow23  .643  .0740  .565      .110
D1    .495  .6263  .458      .001
D2    .746  .2537  .873      .015
D3    .557  .2612  .743      .009
D4    .900  .4147  .864      .061
D5    .953  .4470  .683      .018
D6    .293  .9357  .216      .124
D7    .302  .9442 -.018      .159
D8    .828  .5710  .809      .012
D9    .622  .5218  .750      .017
D10   .113  .0252  .681      .225
D11  -.074  .9576  .646      .099
D12   .838  .7200  .611      .054
D13   .952  .7492  .817      .035
D14   .314  .0983  .107      .164
D15   .152  .1366 -.011      .083
D16   .675  .9383  .401      .109
D17   .750  .8609  .377      .064
D18   .659  .5453  .309      .087
D19   .506  .5828  .168      .036
D20   .506  .0727  .542      .204
D21   .714  .1228  .551      .145