The crystal structure described by K2CoBr4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one Br(2), two equivalent Br(3), and four equivalent Br(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one Br(2), three equivalent Br(3), and four equivalent Br(1) atoms. Co(1) is bonded in a tetrahedral geometry to one Br(2), one Br(3), and two equivalent Br(1) atoms. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent K(1), two equivalent K(2), and one Co(1) atom to form a mixture of distorted edge, corner, and face-sharing BrK4Co square pyramids. In the second Br site, Br(2) is bonded in a distorted T-shaped geometry to one K(1), one K(2), and one Co(1) atom. In the third Br site, Br(3) is bonded in a 6-coordinate geometry to two equivalent K(1), three equivalent K(2), and one Co(1) atom. is represented by the CIF file [CIF]
data_K2CoBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.496
_cell_length_b   9.381
_cell_length_c   13.278
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   933.725
_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  0.750  0.523  0.325  1.0
  K  K1  1  0.250  0.477  0.675  1.0
  K  K2  1  0.250  0.977  0.825  1.0
  K  K3  1  0.750  0.023  0.175  1.0
  K  K4  1  0.750  0.884  0.567  1.0
  K  K5  1  0.250  0.116  0.433  1.0
  K  K6  1  0.250  0.616  0.067  1.0
  K  K7  1  0.750  0.384  0.933  1.0
  Co  Co8  1  0.750  0.781  0.927  1.0
  Co  Co9  1  0.250  0.219  0.073  1.0
  Co  Co10  1  0.250  0.719  0.427  1.0
  Co  Co11  1  0.750  0.281  0.573  1.0
  Br  Br12  1  0.005  0.676  0.849  1.0
  Br  Br13  1  0.995  0.324  0.151  1.0
  Br  Br14  1  0.995  0.824  0.349  1.0
  Br  Br15  1  0.505  0.324  0.151  1.0
  Br  Br16  1  0.005  0.176  0.651  1.0
  Br  Br17  1  0.495  0.676  0.849  1.0
  Br  Br18  1  0.495  0.176  0.651  1.0
  Br  Br19  1  0.505  0.824  0.349  1.0
  Br  Br20  1  0.750  0.034  0.919  1.0
  Br  Br21  1  0.250  0.966  0.081  1.0
  Br  Br22  1  0.250  0.466  0.419  1.0
  Br  Br23  1  0.750  0.534  0.581  1.0
  Br  Br24  1  0.750  0.191  0.404  1.0
  Br  Br25  1  0.250  0.809  0.596  1.0
  Br  Br26  1  0.250  0.309  0.904  1.0
  Br  Br27  1  0.750  0.691  0.096  1.0
[/CIF]
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The crystal structure described by K2CoBr4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one Br(2), two equivalent Br(3), and four equivalent Br(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one Br(2), three equivalent Br(3), and four equivalent Br(1) atoms. Co(1) is bonded in a tetrahedral geometry to one Br(2), one Br(3), and two equivalent Br(1) atoms. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent K(1), two equivalent K(2), and one Co(1) atom to form a mixture of distorted edge, corner, and face-sharing BrK4Co square pyramids. In the second Br site, Br(2) is bonded in a distorted T-shaped geometry to one K(1), one K(2), and one Co(1) atom. In the third Br site, Br(3) is bonded in a 6-coordinate geometry to two equivalent K(1), three equivalent K(2), and one Co(1) atom. is represented by the CIF file [CIF]
data_K2CoBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.496
_cell_length_b   9.381
_cell_length_c   13.278
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   933.725
_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  0.750  0.523  0.325  1.0
  K  K1  1  0.250  0.477  0.675  1.0
  K  K2  1  0.250  0.977  0.825  1.0
  K  K3  1  0.750  0.023  0.175  1.0
  K  K4  1  0.750  0.884  0.567  1.0
  K  K5  1  0.250  0.116  0.433  1.0
  K  K6  1  0.250  0.616  0.067  1.0
  K  K7  1  0.750  0.384  0.933  1.0
  Co  Co8  1  0.750  0.781  0.927  1.0
  Co  Co9  1  0.250  0.219  0.073  1.0
  Co  Co10  1  0.250  0.719  0.427  1.0
  Co  Co11  1  0.750  0.281  0.573  1.0
  Br  Br12  1  0.005  0.676  0.849  1.0
  Br  Br13  1  0.995  0.324  0.151  1.0
  Br  Br14  1  0.995  0.824  0.349  1.0
  Br  Br15  1  0.505  0.324  0.151  1.0
  Br  Br16  1  0.005  0.176  0.651  1.0
  Br  Br17  1  0.495  0.676  0.849  1.0
  Br  Br18  1  0.495  0.176  0.651  1.0
  Br  Br19  1  0.505  0.824  0.349  1.0
  Br  Br20  1  0.750  0.034  0.919  1.0
  Br  Br21  1  0.250  0.966  0.081  1.0
  Br  Br22  1  0.250  0.466  0.419  1.0
  Br  Br23  1  0.750  0.534  0.581  1.0
  Br  Br24  1  0.750  0.191  0.404  1.0
  Br  Br25  1  0.250  0.809  0.596  1.0
  Br  Br26  1  0.250  0.309  0.904  1.0
  Br  Br27  1  0.750  0.691  0.096  1.0
[/CIF]
.