data_global
_chemical_name_mineral 'Ixiolite'
loop_
_publ_author_name
'Nickel E H'
'Rowland J F'
'McAdam R C'
_journal_name_full 'American Mineralogist'
_journal_volume 48
_journal_year 1963
_journal_page_first 961
_journal_page_last 979
_publ_section_title
;
 Ixiolite - a columbite substructure
 sample M-6591, note that the coordinates have been put into a standard setting
;
_database_code_amcsd 125
_chemical_formula_sum '(Ta.438 Fe.177 Sn.128 Nb.124 Mn.12 Zr.006 Ti.006 W.001) O2'
_cell_length_a 5.731
_cell_length_b 4.742
_cell_length_c 5.152
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 140.013
_exptl_crystal_density_diffrn  7.375
_symmetry_space_group_name_H-M 'P c a n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,y,1/2+z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-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
Ta   0.333  0.0  -0.25  0.438
Fe   0.333  0.0  -0.25  0.177
Sn   0.333  0.0  -0.25  0.128
Nb   0.333  0.0  -0.25  0.124
Mn   0.333  0.0  -0.25  0.12
Zr   0.333  0.0  -0.25  0.006
Ti   0.333  0.0  -0.25  0.006
W   0.333  0.0  -0.25  0.001
O   0.092  0.25  -0.079  1.0