The crystal structure described by K4OBr2 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1) and five equivalent Br(1) atoms. In the second K site, K(2) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Br(1) atoms. O(1) is bonded to two equivalent K(1) and four equivalent K(2) atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a 9-coordinate geometry to four equivalent K(2) and five equivalent K(1) atoms. is represented by the CIF card [CIF]
data_K4Br2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.143
_cell_length_b   5.143
_cell_length_c   9.016
_cell_angle_alpha   106.571
_cell_angle_beta   106.571
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.169
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  K  K0  1  0.155  0.155  0.310  1.0
  K  K1  1  0.000  0.500  0.000  1.0
  K  K2  1  0.845  0.845  0.690  1.0
  K  K3  1  0.500  0.000  0.000  1.0
  Br  Br4  1  0.356  0.356  0.712  1.0
  Br  Br5  1  0.644  0.644  0.288  1.0
  O  O6  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by K4OBr2 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1) and five equivalent Br(1) atoms. In the second K site, K(2) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Br(1) atoms. O(1) is bonded to two equivalent K(1) and four equivalent K(2) atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a 9-coordinate geometry to four equivalent K(2) and five equivalent K(1) atoms. is represented by the CIF card [CIF]
data_K4Br2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.143
_cell_length_b   5.143
_cell_length_c   9.016
_cell_angle_alpha   106.571
_cell_angle_beta   106.571
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.169
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  K  K0  1  0.155  0.155  0.310  1.0
  K  K1  1  0.000  0.500  0.000  1.0
  K  K2  1  0.845  0.845  0.690  1.0
  K  K3  1  0.500  0.000  0.000  1.0
  Br  Br4  1  0.356  0.356  0.712  1.0
  Br  Br5  1  0.644  0.644  0.288  1.0
  O  O6  1  0.000  0.000  0.000  1.0
[/CIF]
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