data_global
_chemical_name_mineral 'Dansite-(Fe)'
loop_
_publ_author_name
'Demartin F'
'Campostrini I'
'Castellano C'
'Gramaccioli C M'
'Russo M'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 76 
_journal_year 2012
_journal_page_first 2773
_journal_page_last 2783
_publ_section_title
;
 D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3,
 two new minerals from volcanic fumaroles
;
_database_code_amcsd 0019748
_chemical_compound_source 'La Fossa crater, Vulcano, Aeolian Islands, Italy'
_chemical_formula_sum 'Na21.48 Fe.52 S10 O40 Cl3'
_cell_length_a 15.882
_cell_length_b 15.882
_cell_length_c 15.882
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 4006.043
_exptl_crystal_density_diffrn      2.636
_symmetry_space_group_name_H-M 'I -4 3 d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-z,x,-y'
  '-z,1/2+x,1/2-y'
  '1/2-y,z,-x'
  '-y,1/2+z,1/2-x'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/4+x,3/4-z,1/4-y'
  '3/4+x,1/4-z,3/4-y'
  '1/4+z,3/4-y,1/4-x'
  '3/4+z,1/4-y,3/4-x'
  '1/4+y,3/4-x,1/4-z'
  '3/4+y,1/4-x,3/4-z'
  '1/4+x,1/4+z,1/4+y'
  '3/4+x,3/4+z,3/4+y'
  '1/4+z,1/4+y,1/4+x'
  '3/4+z,3/4+y,3/4+x'
  '1/4+y,1/4+x,1/4+z'
  '3/4+y,3/4+x,3/4+z'
  '-z,1/2-x,y'
  '1/2-z,-x,1/2+y'
  '-y,1/2-z,x'
  '1/2-y,-z,1/2+x'
  '-x,1/2-y,z'
  '1/2-x,-y,1/2+z'
  '1/2+z,1/2-x,-y'
  '+z,-x,1/2-y'
  '1/2+y,1/2-z,-x'
  '+y,-z,1/2-x'
  '1/2+x,1/2-y,-z'
  '+x,-y,1/2-z'
  '3/4-x,3/4+z,1/4-y'
  '1/4-x,1/4+z,3/4-y'
  '3/4-z,3/4+y,1/4-x'
  '1/4-z,1/4+y,3/4-x'
  '3/4-y,3/4+x,1/4-z'
  '1/4-y,1/4+x,3/4-z'
  '3/4-x,1/4-z,1/4+y'
  '1/4-x,3/4-z,3/4+y'
  '3/4-z,1/4-y,1/4+x'
  '1/4-z,3/4-y,3/4+x'
  '3/4-y,1/4-x,1/4+z'
  '1/4-y,3/4-x,3/4+z'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na1   0.88098   0.37440   0.84834   1.00000   0.02430
Na2   0.00000   0.25000   0.04293   1.00000   0.06890
Na3   0.08027   0.58027   0.91973   0.87000   0.04540
Fe3   0.08027   0.58027   0.91973   0.13000   0.04540
S1   0.01852   0.50000   0.75000   1.00000   0.01710
S2   0.96103   0.46103   0.03897   1.00000   0.01640
O1  -0.03390   0.42636   0.73325   1.00000   0.02740
O2   0.07233   0.51656   0.67692   1.00000   0.03720
O3   0.91376   0.47536  -0.03641   1.00000   0.05960
O4   0.90884   0.40884   0.09116   1.00000   0.10020
Cl   0.00000   0.25000   0.87500   1.00000   0.02080
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na1 0.02360 0.02390 0.02520 0.00140 0.00170 0.00240
Na2 0.15200 0.03710 0.01800 -0.03200 0.00000 0.00000
Na3 0.04540 0.04540 0.04540 0.00270 -0.00270 -0.00270
Fe3 0.04540 0.04540 0.04540 0.00270 -0.00270 -0.00270
S1 0.01020 0.02400 0.01720 0.00000 0.00000 0.00340
S2 0.01640 0.01640 0.01640 0.00180 -0.00180 -0.00180
O1 0.01940 0.03230 0.03050 -0.01010 0.00270 0.00050
O2 0.03550 0.03120 0.04490 0.00760 0.02430 0.01320
O3 0.08870 0.06420 0.02590 0.03650 -0.02570 -0.00940
O4 0.10020 0.10020 0.10020 -0.03080 0.03080 0.03080
Cl 0.02440 0.02440 0.01360 0.00000 0.00000 0.00000