The material described by K4MnCl6 crystallizes in the cubic Im-3m space group. K(1) is bonded in a 6-coordinate geometry to six equivalent Cl(1) atoms. Mn(1) is bonded in an octahedral geometry to six equivalent Cl(1) atoms. Cl(1) is bonded to four equivalent K(1) and one Mn(1) atom to form a mixture of corner and face-sharing ClK4Mn square pyramids. is represented by the CIF file [CIF]
data_K4MnCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.785
_cell_length_b   7.785
_cell_length_c   7.785
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   363.223
_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  0.000  0.500  0.000  1.0
  K  K1  1  0.500  0.000  0.000  1.0
  K  K2  1  0.000  0.000  0.500  1.0
  K  K3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Cl  Cl5  1  0.714  0.714  0.000  1.0
  Cl  Cl6  1  0.714  0.000  0.714  1.0
  Cl  Cl7  1  0.000  0.714  0.714  1.0
  Cl  Cl8  1  0.000  0.286  0.286  1.0
  Cl  Cl9  1  0.286  0.286  0.000  1.0
  Cl  Cl10  1  0.286  0.000  0.286  1.0
[/CIF]
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The material described by K4MnCl6 crystallizes in the cubic Im-3m space group. K(1) is bonded in a 6-coordinate geometry to six equivalent Cl(1) atoms. Mn(1) is bonded in an octahedral geometry to six equivalent Cl(1) atoms. Cl(1) is bonded to four equivalent K(1) and one Mn(1) atom to form a mixture of corner and face-sharing ClK4Mn square pyramids. is represented by the CIF file [CIF]
data_K4MnCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.785
_cell_length_b   7.785
_cell_length_c   7.785
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   363.223
_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  0.000  0.500  0.000  1.0
  K  K1  1  0.500  0.000  0.000  1.0
  K  K2  1  0.000  0.000  0.500  1.0
  K  K3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Cl  Cl5  1  0.714  0.714  0.000  1.0
  Cl  Cl6  1  0.714  0.000  0.714  1.0
  Cl  Cl7  1  0.000  0.714  0.714  1.0
  Cl  Cl8  1  0.000  0.286  0.286  1.0
  Cl  Cl9  1  0.286  0.286  0.000  1.0
  Cl  Cl10  1  0.286  0.000  0.286  1.0
[/CIF]
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