The material structure described by K2MoBr4 crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent Br(1) atoms. Mo(1) is bonded in a 5-coordinate geometry to one Mo(1) and four equivalent Br(1) atoms. Br(1) is bonded to four equivalent K(1) and one Mo(1) atom to form a mixture of distorted corner, face, and edge-sharing BrK4Mo square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MoBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.411
_cell_length_b   8.761
_cell_length_c   8.761
_cell_angle_alpha   76.680
_cell_angle_beta   61.315
_cell_angle_gamma   61.315
_symmetry_Int_Tables_number   1
_cell_volume   496.849
_cell_formula_units_Z   2
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  0.268  0.000  0.465  1.0
  K  K1  1  0.732  0.000  0.535  1.0
  K  K2  1  0.732  0.535  0.000  1.0
  K  K3  1  0.268  0.465  0.000  1.0
  Mo  Mo4  1  0.134  0.000  0.000  1.0
  Mo  Mo5  1  0.866  0.000  0.000  1.0
  Br  Br6  1  0.218  0.232  0.768  1.0
  Br  Br7  1  0.782  0.768  0.232  1.0
  Br  Br8  1  0.218  0.768  0.232  1.0
  Br  Br9  1  0.986  0.232  0.232  1.0
  Br  Br10  1  0.782  0.232  0.768  1.0
  Br  Br11  1  0.014  0.768  0.768  1.0
  Br  Br12  1  0.450  0.768  0.768  1.0
  Br  Br13  1  0.550  0.232  0.232  1.0
[/CIF]
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The material structure described by K2MoBr4 crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent Br(1) atoms. Mo(1) is bonded in a 5-coordinate geometry to one Mo(1) and four equivalent Br(1) atoms. Br(1) is bonded to four equivalent K(1) and one Mo(1) atom to form a mixture of distorted corner, face, and edge-sharing BrK4Mo square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MoBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.411
_cell_length_b   8.761
_cell_length_c   8.761
_cell_angle_alpha   76.680
_cell_angle_beta   61.315
_cell_angle_gamma   61.315
_symmetry_Int_Tables_number   1
_cell_volume   496.849
_cell_formula_units_Z   2
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  0.268  0.000  0.465  1.0
  K  K1  1  0.732  0.000  0.535  1.0
  K  K2  1  0.732  0.535  0.000  1.0
  K  K3  1  0.268  0.465  0.000  1.0
  Mo  Mo4  1  0.134  0.000  0.000  1.0
  Mo  Mo5  1  0.866  0.000  0.000  1.0
  Br  Br6  1  0.218  0.232  0.768  1.0
  Br  Br7  1  0.782  0.768  0.232  1.0
  Br  Br8  1  0.218  0.768  0.232  1.0
  Br  Br9  1  0.986  0.232  0.232  1.0
  Br  Br10  1  0.782  0.232  0.768  1.0
  Br  Br11  1  0.014  0.768  0.768  1.0
  Br  Br12  1  0.450  0.768  0.768  1.0
  Br  Br13  1  0.550  0.232  0.232  1.0
[/CIF]
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