data_global
_chemical_name_mineral 'Carlosruizite'
loop_
_publ_author_name
'Konnert J A'
'Evans H T'
'McGee J J'
'Ericksen G E'
_journal_name_full 'American Mineralogist'
_journal_volume 79 
_journal_year 1994
_journal_page_first 1003
_journal_page_last 1008
_publ_section_title
;
 Mineralogical studies of the nitrate deposits of Chile: VII. Two saline
 minerals with the composition K6(Na,K)4Na6Mg10(XO4)12(IO3)12.12H2O:
 Fuenzalidaite (X=S) and carlosruizite (X=Se)
;
_database_code_amcsd 0001678
_chemical_formula_sum 'I6 O48 Se6 K3.64 Na4.36 Mg5 H12'
_cell_length_a 9.5901
_cell_length_b 9.5901
_cell_length_c 27.56
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2195.109
_exptl_crystal_density_diffrn      3.600
_symmetry_space_group_name_H-M 'P -3 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,1/2+z'
  'y,-x+y,-z'
  '-x,-x+y,1/2-z'
  '-x+y,-x,z'
  '-x+y,y,1/2+z'
  '-x,-y,-z'
  'y,x,1/2-z'
  '-y,x-y,z'
  'x,x-y,1/2+z'
  'x-y,x,-z'
  'x-y,-y,1/2-z'
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
I   0.39110   0.21990   0.45600   1.00000   0.01100
O1   0.20100   0.03900   0.45850   1.00000   0.01000
O2   0.48900   0.16800   0.40970   1.00000   0.01690
O3   0.48200   0.17400   0.50600   1.00000   0.01960
Se   0.31880   0.29920   0.32430   1.00000   0.01210
O4   0.28600   0.42700   0.29750   1.00000   0.01960
O5   0.22300   0.12600   0.30310   1.00000   0.01210
O6   0.50700   0.36500   0.32040   1.00000   0.01960
O7   0.27400   0.29400   0.38010   1.00000   0.01960
K1   0.38340   0.00000   0.25000   1.00000   0.02890
Na   0.00000   0.00000   0.12120   0.68000   0.02250
K   0.00000   0.00000   0.12120   0.32000   0.02250
Na1   0.33333   0.66667   0.33380   1.00000   0.02250
Na2   0.00000   0.00000   0.25000   1.00000   0.01210
Mg1   0.33333   0.66667   0.13910   1.00000   0.01440
Mg2   0.33333   0.66667   0.44800   1.00000   0.01440
Mg3   0.00000   0.00000   0.00000   1.00000   0.01690
Wat8   0.66200   0.49700   0.09870   1.00000   0.01960