data_global
_amcsd_formula_title 'KAlSi3O8'
loop_
_publ_author_name
'Zhang J'
'Ko J'
'Hazen R M'
'Prewitt C T'
_journal_name_full 'American Mineralogist'
_journal_volume 78 
_journal_year 1993
_journal_page_first 493
_journal_page_last 499
_publ_section_title
;
 High-pressure crystal chemistry of KAlSi3O8 hollandite
 Pressure = 0.00 GPa
;
_database_code_amcsd 0001559
_chemical_formula_sum 'K (Si3 Al) O8'
_cell_length_a 9.315
_cell_length_b 9.315
_cell_length_c 2.723
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 236.273
_exptl_crystal_density_diffrn      3.912
_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   0.50000   1.00000   0.01494
Si   0.35010   0.16610   0.00000   0.75000   0.00671
Al   0.35010   0.16610   0.00000   0.25000   0.00671
O1   0.15260   0.20360   0.00000   1.00000   0.01178
O2   0.54060   0.16480   0.00000   1.00000   0.01051