data_global
_chemical_name_mineral 'Priderite'
loop_
_publ_author_name
'Post J E'
'Von Dreele R B'
'Buseck P R'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 38 
_journal_year 1982
_journal_page_first 1056
_journal_page_last 1065
_publ_section_title
;
 Symmetry and cation displacements in hollandites:
 structure refinements of hollandite, cryptomelane and priderite
 Note: Anisotropic displacement factors from ICSD
;
_database_code_amcsd 0009757
_chemical_compound_source 'West Kimberley, Australia'
_chemical_formula_sum 'K.66 Ba.1 Na.02 (Ti3.36 Fe.52 Mg.12) O8'
_cell_length_a 10.139
_cell_length_b 10.139
_cell_length_c 2.9664
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 304.944
_exptl_crystal_density_diffrn      3.930
_symmetry_space_group_name_H-M 'I 4/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,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'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,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
K   0.00000   0.00000   0.03000   0.33000   0.02600
Ba   0.00000   0.00000   0.18000   0.05000   0.02400
Na   0.00000   0.00000   0.50000   0.02000   0.01000
Ti4+   0.85138   0.33235   0.00000   0.84000   0.00760
Fe3+   0.85138   0.33235   0.00000   0.13000   0.00760
Mg   0.85138   0.33235   0.00000   0.03000   0.00760
O1   0.65498   0.29604   0.00000   1.00000   0.00620
O2   0.04076   0.33441   0.00000   1.00000   0.00680
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
K 0.02140 0.02140 0.03600 0.00000 0.00000 0.00000
Ba 0.01300 0.01300 0.07600 0.00000 0.00000 0.00000
Ti4+ 0.00780 0.00990 0.00590 0.00000 0.00000 -0.00170
Fe3+ 0.00780 0.00990 0.00590 0.00000 0.00000 -0.00170
Mg 0.00780 0.00990 0.00590 0.00000 0.00000 -0.00170
O1 0.00590 0.00640 0.00630 0.00000 0.00000 -0.00010
O2 0.00460 0.01040 0.00670 0.00000 0.00000 -0.00010