data_global
_chemical_name_mineral 'Tapiolite-(Fe)'
loop_
_publ_author_name
'Zema M'
'Tarantino S C'
'Giorgiani A'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 70 
_journal_year 2006
_journal_page_first 319
_journal_page_last 328
_publ_section_title
;
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim20_q0, untreated
;
_database_code_amcsd 0018712
_chemical_compound_source 'Kimito, Finland'
_chemical_formula_sum 'Fe Ta1.87 Nb.13 O6'
_cell_length_a 4.7561
_cell_length_b 4.7561
_cell_length_c 9.2880
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 210.099
_exptl_crystal_density_diffrn      7.940
_symmetry_space_group_name_H-M 'P 42/m n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,x,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'y,x,z'
  '-y,-x,-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe(A)   0.00000   0.00000   0.00000   0.48200
Ta(A)   0.00000   0.00000   0.00000   0.51800
Fe(B)   0.00000   0.00000   0.33282   0.25900
Ta(B)   0.00000   0.00000   0.33282   0.67600
Nb(B)   0.00000   0.00000   0.33282   0.06500
O1   0.30290   0.30290   0.00000   1.00000
O2   0.30070   0.30070   0.33070   1.00000