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 Kim24_q3, treated at 700 C for 450 min
;
_database_code_amcsd 0018725
_chemical_compound_source 'Kimito, Finland'
_chemical_formula_sum 'Fe.999 Ta1.871 Nb.13 O6'
_cell_length_a 4.7561
_cell_length_b 4.7561
_cell_length_c 9.2030
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 208.176
_exptl_crystal_density_diffrn      8.015
_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   0.98500
Ta(A)   0.00000   0.00000   0.00000   0.01500
Fe(B)   0.00000   0.00000   0.33116   0.00700
Ta(B)   0.00000   0.00000   0.33116   0.92800
Nb(B)   0.00000   0.00000   0.33116   0.06500
O1   0.31180   0.31180   0.00000   1.00000
O2   0.29430   0.29430   0.32190   1.00000