data_9000121
_chemical_name '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 the proper setting
;
_chemical_formula_sum '(Ta.438 Fe.177 Sn.128 Nb.124 Mn.12 Zr.006 Ti.006 W.001) O
_cell_length_a 5.731
_cell_length_b 4.742
_cell_length_c 5.152
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 140.013
_symmetry_space_group_name_H-M 'P c a n'
loop_
_symmetry_equiv_pos_as_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   0.33300   0.00000  -0.25000   0.43800
Fe   0.33300   0.00000  -0.25000   0.17700
Sn   0.33300   0.00000  -0.25000   0.12800
Nb   0.33300   0.00000  -0.25000   0.12400
Mn   0.33300   0.00000  -0.25000   0.12000
Zr   0.33300   0.00000  -0.25000   0.00600
Ti   0.33300   0.00000  -0.25000   0.00600
W   0.33300   0.00000  -0.25000   0.00100
O   0.09200   0.25000  -0.07900   1.00000