The structure described by KBrO4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 10-coordinate geometry to one O(3), three equivalent O(2), and six equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent K(1) and one Br(1) atom to form a mixture of distorted edge and corner-sharing OK3Br tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Br(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one K(1) and one Br(1) atom. Br(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.076
_cell_length_b   7.700
_cell_length_c   9.178
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   429.391
_cell_formula_units_Z   4
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  0.250  0.163  0.178  1.0
  K  K1  1  0.750  0.837  0.822  1.0
  K  K2  1  0.750  0.663  0.322  1.0
  K  K3  1  0.250  0.337  0.678  1.0
  Br  Br4  1  0.250  0.684  0.070  1.0
  Br  Br5  1  0.750  0.316  0.930  1.0
  Br  Br6  1  0.750  0.184  0.430  1.0
  Br  Br7  1  0.250  0.816  0.570  1.0
  O  O8  1  0.529  0.309  0.419  1.0
  O  O9  1  0.029  0.691  0.581  1.0
  O  O10  1  0.471  0.809  0.081  1.0
  O  O11  1  0.971  0.191  0.919  1.0
  O  O12  1  0.471  0.691  0.581  1.0
  O  O13  1  0.971  0.309  0.419  1.0
  O  O14  1  0.529  0.191  0.919  1.0
  O  O15  1  0.029  0.809  0.081  1.0
  O  O16  1  0.250  0.547  0.208  1.0
  O  O17  1  0.750  0.453  0.792  1.0
  O  O18  1  0.750  0.047  0.292  1.0
  O  O19  1  0.250  0.953  0.708  1.0
  O  O20  1  0.250  0.579  0.914  1.0
  O  O21  1  0.750  0.421  0.086  1.0
  O  O22  1  0.750  0.079  0.586  1.0
  O  O23  1  0.250  0.921  0.414  1.0
[/CIF]
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The structure described by KBrO4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 10-coordinate geometry to one O(3), three equivalent O(2), and six equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent K(1) and one Br(1) atom to form a mixture of distorted edge and corner-sharing OK3Br tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Br(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one K(1) and one Br(1) atom. Br(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.076
_cell_length_b   7.700
_cell_length_c   9.178
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   429.391
_cell_formula_units_Z   4
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  0.250  0.163  0.178  1.0
  K  K1  1  0.750  0.837  0.822  1.0
  K  K2  1  0.750  0.663  0.322  1.0
  K  K3  1  0.250  0.337  0.678  1.0
  Br  Br4  1  0.250  0.684  0.070  1.0
  Br  Br5  1  0.750  0.316  0.930  1.0
  Br  Br6  1  0.750  0.184  0.430  1.0
  Br  Br7  1  0.250  0.816  0.570  1.0
  O  O8  1  0.529  0.309  0.419  1.0
  O  O9  1  0.029  0.691  0.581  1.0
  O  O10  1  0.471  0.809  0.081  1.0
  O  O11  1  0.971  0.191  0.919  1.0
  O  O12  1  0.471  0.691  0.581  1.0
  O  O13  1  0.971  0.309  0.419  1.0
  O  O14  1  0.529  0.191  0.919  1.0
  O  O15  1  0.029  0.809  0.081  1.0
  O  O16  1  0.250  0.547  0.208  1.0
  O  O17  1  0.750  0.453  0.792  1.0
  O  O18  1  0.750  0.047  0.292  1.0
  O  O19  1  0.250  0.953  0.708  1.0
  O  O20  1  0.250  0.579  0.914  1.0
  O  O21  1  0.750  0.421  0.086  1.0
  O  O22  1  0.750  0.079  0.586  1.0
  O  O23  1  0.250  0.921  0.414  1.0
[/CIF]
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