The structure described by K3NaMnCl6 crystallizes in the trigonal R-3c space group. K(1) is bonded in a 8-coordinate geometry to eight equivalent Cl(1) atoms. Na(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), one Na(1), and one Mn(1) atom to form a mixture of distorted face, corner, and edge-sharing ClK4NaMn octahedra. The corner-sharing octahedral tilt angles range from 0-64°. is represented by the CIF card [CIF]
data_K3NaMnCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.456
_cell_length_b   8.456
_cell_length_c   8.456
_cell_angle_alpha   92.221
_cell_angle_beta   92.221
_cell_angle_gamma   92.221
_symmetry_Int_Tables_number   1
_cell_volume   603.227
_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  0.128  0.372  0.750  1.0
  K  K1  1  0.750  0.128  0.372  1.0
  K  K2  1  0.372  0.750  0.128  1.0
  K  K3  1  0.250  0.872  0.628  1.0
  K  K4  1  0.628  0.250  0.872  1.0
  K  K5  1  0.872  0.628  0.250  1.0
  Na  Na6  1  0.250  0.250  0.250  1.0
  Na  Na7  1  0.750  0.750  0.750  1.0
  Mn  Mn8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
  Cl  Cl10  1  0.211  0.545  0.419  1.0
  Cl  Cl11  1  0.419  0.211  0.545  1.0
  Cl  Cl12  1  0.545  0.419  0.211  1.0
  Cl  Cl13  1  0.919  0.045  0.711  1.0
  Cl  Cl14  1  0.711  0.919  0.045  1.0
  Cl  Cl15  1  0.045  0.711  0.919  1.0
  Cl  Cl16  1  0.789  0.455  0.581  1.0
  Cl  Cl17  1  0.581  0.789  0.455  1.0
  Cl  Cl18  1  0.455  0.581  0.789  1.0
  Cl  Cl19  1  0.081  0.955  0.289  1.0
  Cl  Cl20  1  0.289  0.081  0.955  1.0
  Cl  Cl21  1  0.955  0.289  0.081  1.0
[/CIF]
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The structure described by K3NaMnCl6 crystallizes in the trigonal R-3c space group. K(1) is bonded in a 8-coordinate geometry to eight equivalent Cl(1) atoms. Na(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), one Na(1), and one Mn(1) atom to form a mixture of distorted face, corner, and edge-sharing ClK4NaMn octahedra. The corner-sharing octahedral tilt angles range from 0-64°. is represented by the CIF card [CIF]
data_K3NaMnCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.456
_cell_length_b   8.456
_cell_length_c   8.456
_cell_angle_alpha   92.221
_cell_angle_beta   92.221
_cell_angle_gamma   92.221
_symmetry_Int_Tables_number   1
_cell_volume   603.227
_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  0.128  0.372  0.750  1.0
  K  K1  1  0.750  0.128  0.372  1.0
  K  K2  1  0.372  0.750  0.128  1.0
  K  K3  1  0.250  0.872  0.628  1.0
  K  K4  1  0.628  0.250  0.872  1.0
  K  K5  1  0.872  0.628  0.250  1.0
  Na  Na6  1  0.250  0.250  0.250  1.0
  Na  Na7  1  0.750  0.750  0.750  1.0
  Mn  Mn8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
  Cl  Cl10  1  0.211  0.545  0.419  1.0
  Cl  Cl11  1  0.419  0.211  0.545  1.0
  Cl  Cl12  1  0.545  0.419  0.211  1.0
  Cl  Cl13  1  0.919  0.045  0.711  1.0
  Cl  Cl14  1  0.711  0.919  0.045  1.0
  Cl  Cl15  1  0.045  0.711  0.919  1.0
  Cl  Cl16  1  0.789  0.455  0.581  1.0
  Cl  Cl17  1  0.581  0.789  0.455  1.0
  Cl  Cl18  1  0.455  0.581  0.789  1.0
  Cl  Cl19  1  0.081  0.955  0.289  1.0
  Cl  Cl20  1  0.289  0.081  0.955  1.0
  Cl  Cl21  1  0.955  0.289  0.081  1.0
[/CIF]
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