data_global
_amcsd_formula_title 'K4OBr2'
loop_
_publ_author_name
'Hippler K'
'Sitta S'
'Vogt P'
'Sabrowsky H'
'Walz L'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 1359
_journal_page_last 1360
_publ_section_title
;
 Structure of K4OBr2
;
_database_code_amcsd 0010159
_chemical_formula_sum 'K4 O Br2'
_cell_length_a 5.145
_cell_length_b 5.145
_cell_length_c 16.527
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 378.875
_exptl_crystal_density_diffrn      2.912
_symmetry_space_group_name_H-M 'I 4/m m 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'
  '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'
  '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'
  '-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'
  '-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_U_iso_or_equiv
K1   0.00000   0.50000   0.00000   0.03610
K2   0.00000   0.00000   0.15530   0.04200
O   0.00000   0.00000   0.00000   0.01080
Br   0.00000   0.00000   0.35390   0.03040
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
K1 0.03950 0.01050 0.05840 0.00000 0.00000 0.00000
K2 0.05120 0.05120 0.02360 0.00000 0.00000 0.00000
O 0.00920 0.00920 0.01420 0.00000 0.00000 0.00000
Br 0.03220 0.03220 0.02720 0.00000 0.00000 0.00000