data_global
_chemical_name_mineral 'Sillenite'
loop_
_publ_author_name
'Radaev S F'
'Muradyan L A'
'Simonov V I'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 47 
_journal_year 1991
_journal_page_first 1
_journal_page_last 6
_publ_section_title
;
 Atomic structure and crystal chemistry of sillenites:
 Bi12(Bi3+0.50Fe3+0.50)O19.50 and Bi12(Bi3+0.50Fe3+0.50)O19.33
 Note: anisoB's from ICSD
;
_database_code_amcsd 0009844
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Bi12.5 Fe.5 O19.48'
_cell_length_a 10.184
_cell_length_b 10.184
_cell_length_c 10.184
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1056.222
_exptl_crystal_density_diffrn      9.281
_symmetry_space_group_name_H-M 'I 2 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-z,-x,y'
  '1/2-z,1/2-x,1/2+y'
  '-z,x,-y'
  '1/2-z,1/2+x,1/2-y'
  'z,-x,-y'
  '1/2+z,1/2-x,1/2-y'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  'y,-z,-x'
  '1/2+y,1/2-z,1/2-x'
  '-y,-z,x'
  '1/2-y,1/2-z,1/2+x'
  '-y,z,-x'
  '1/2-y,1/2+z,1/2-x'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-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
Bi   0.17631   0.31786   0.01395   1.00000   0.01431
FeM   0.00000   0.00000   0.00000   0.50000   0.00811
BiM  -0.01800  -0.01800  -0.01800   0.12500   0.01583
O1   0.13495   0.25148   0.48589   1.00000   0.01406
O2   0.18995   0.18995   0.18995   1.00000   0.01355
O3   0.89288   0.89288   0.89288   0.87000   0.01760
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
Bi 0.00925 0.02107 0.01277 0.00373 -0.00042 0.00326
O1 0.01145 0.01655 0.01398 -0.00315 -0.00310 0.00299
O2 0.01361 0.01361 0.01361 0.00515 0.00515 0.00515
O3 0.01361 0.01361 0.01361 0.00515 0.00515 0.00515