data_global
_amcsd_formula_title 'KAlF4'
loop_
_publ_author_name
'Gibaud A'
'Le Bail A'
'Bulou A'
_journal_name_full 'Journal of Physics C: Solid State Physics'
_journal_volume 19 
_journal_year 1986
_journal_page_first 4623
_journal_page_last 4633
_publ_section_title
;
 A re-investigation of the room-temperature phase of KAlF4: evidence
 of antiphase domains
 _cod_database_code 1000126
;
_database_code_amcsd 0013177
_chemical_formula_sum 'K Al F4'
_cell_length_a 5.0431
_cell_length_b 5.0431
_cell_length_c 6.1567
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 156.582
_exptl_crystal_density_diffrn      3.013
_symmetry_space_group_name_H-M 'P 4/m b m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  '1/2+y,1/2+x,-z'
  'y,-x,-z'
  '-y,x,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  'x,y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,z'
  '1/2-y,1/2-x,-z'
  '-y,x,-z'
  'y,-x,z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K   0.00000   0.50000   0.50000
Al   0.00000   0.00000   0.00000
F1   0.00000   0.00000   0.28430
F2   0.29860   0.79860   0.00000
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 0.01570 0.01570 0.02110 0.00010 0.00000 0.00000
Al 0.00610 0.00610 0.00330 0.00000 0.00000 0.00000
F1 0.03240 0.03240 -0.00060 0.00000 0.00000 0.00000
F2 0.00580 0.00580 0.03330 -0.00440 0.00000 0.00000