Mandarinoite
Hawthorne F C
The Canadian Mineralogist 22 (1984) 475-480
The crystal structure of mandarinoite, Fe2Se3O9.6H2O
_database_code_amcsd 0005198
16.810 7.880 10.019 90 98.26 90 P2_1/c
atom     x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Se1  .9814  .0402  .3157       .0012  .0035  .0018 -.0001  .0003  .0002
Se2  .2232  .7278  .7296       .0012  .0037  .0019 -.0001  .0001  .0004
Se3  .5277  .4819  .8133       .0011  .0042  .0017  .0001  .0003  .0001
Fe1  .3992  .7447  .9105       .0011  .0033  .0019  .0001  .0004  .0003
Fe2  .9056  .2408  .0462       .0012  .0039  .0012  .0000  .0002  .0000
O1   .9804  .2132  .4165       .0010  .0055  .0026 -.0003  .0004 -.0028
O2   .0778 -.0288  .3678       .0012  .0058  .0024  .0000 -.0004  .0010
O3   .9993  .1372  .1715       .0017  .0095  .0016 -.0004  .0014  .0001
O4   .3144 -.1765  .7662       .0008  .0079  .0021 -.0005 -.0004  .0007
O5   .1916 -.1686  .5793       .0021  .0054  .0013 -.0007  .0001  .0004
O6   .1688 -.1602  .8291       .0019  .0062  .0030 -.0003  .0019 -.0028
O7   .5206  .3855  .6606       .0020  .0055  .0004  .0004 -.0002 -.0003
O8   .4301  .5483  .8012       .0010  .0049  .0017  .0018  .0004  .0002
O9   .4777  .6841  .0774       .0020  .0062  .0011  .0007  .0002  .0023
O10  .3162 -.4275  .9668       .0022  .0078  .0024  .0002  .0010  .0013
O11  .3560 -.0759  .0322       .0017  .0046  .0020  .0001 -.0005  .0020
O12  .8857  .0073 -.0482       .0017  .0048  .0045 -.0006  .0009 -.0015
O13  .6401  .7601  .0739       .0017  .0110  .0054 -.0006  .0003 -.0002
O14  .2525  .3129  .2005       .0076  .0063  .0077 -.0006  .0031  .0016
O15  .1779  .2416  .4283       .0026  .0092  .0061 -.0016  .0009 -.0007
H1     .27    .56    .93  1.0
H2     .35    .49    .97  1.0
H3     .39    .92    .12  1.0
H4     .37   -.01    .99  1.0
H5     .06   -.05    .06  1.0
H6     .11    .13    .05  1.0
H7     .41    .28    .41  1.0
H8     .23     .2    .57  1.0
H9     .28    .39    .19  1.0
H10    .15    .10    .37  1.0
H11    .18    .31    .35  1.0