The structure described by KMnCl3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to one Cl(1), three equivalent Cl(2), and four equivalent Cl(3) atoms. Mn(1) is bonded to one Cl(3), two equivalent Cl(2), and three equivalent Cl(1) atoms to form edge-sharing MnCl6 octahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one K(1) and three equivalent Mn(1) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to three equivalent K(1) and two equivalent Mn(1) atoms. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_KMnCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.863
_cell_length_b   8.803
_cell_length_c   14.362
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.392
_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  0.563  0.825  1.0
  K  K1  1  0.250  0.937  0.325  1.0
  K  K2  1  0.250  0.437  0.175  1.0
  K  K3  1  0.750  0.063  0.675  1.0
  Mn  Mn4  1  0.250  0.165  0.945  1.0
  Mn  Mn5  1  0.250  0.665  0.555  1.0
  Mn  Mn6  1  0.750  0.335  0.445  1.0
  Mn  Mn7  1  0.750  0.835  0.055  1.0
  Cl  Cl8  1  0.250  0.522  0.400  1.0
  Cl  Cl9  1  0.250  0.673  0.994  1.0
  Cl  Cl10  1  0.750  0.478  0.600  1.0
  Cl  Cl11  1  0.750  0.721  0.208  1.0
  Cl  Cl12  1  0.250  0.279  0.792  1.0
  Cl  Cl13  1  0.750  0.978  0.900  1.0
  Cl  Cl14  1  0.250  0.022  0.100  1.0
  Cl  Cl15  1  0.750  0.221  0.292  1.0
  Cl  Cl16  1  0.750  0.327  0.006  1.0
  Cl  Cl17  1  0.250  0.779  0.708  1.0
  Cl  Cl18  1  0.750  0.827  0.494  1.0
  Cl  Cl19  1  0.250  0.173  0.506  1.0
[/CIF]
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The structure described by KMnCl3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to one Cl(1), three equivalent Cl(2), and four equivalent Cl(3) atoms. Mn(1) is bonded to one Cl(3), two equivalent Cl(2), and three equivalent Cl(1) atoms to form edge-sharing MnCl6 octahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one K(1) and three equivalent Mn(1) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to three equivalent K(1) and two equivalent Mn(1) atoms. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_KMnCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.863
_cell_length_b   8.803
_cell_length_c   14.362
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.392
_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  0.563  0.825  1.0
  K  K1  1  0.250  0.937  0.325  1.0
  K  K2  1  0.250  0.437  0.175  1.0
  K  K3  1  0.750  0.063  0.675  1.0
  Mn  Mn4  1  0.250  0.165  0.945  1.0
  Mn  Mn5  1  0.250  0.665  0.555  1.0
  Mn  Mn6  1  0.750  0.335  0.445  1.0
  Mn  Mn7  1  0.750  0.835  0.055  1.0
  Cl  Cl8  1  0.250  0.522  0.400  1.0
  Cl  Cl9  1  0.250  0.673  0.994  1.0
  Cl  Cl10  1  0.750  0.478  0.600  1.0
  Cl  Cl11  1  0.750  0.721  0.208  1.0
  Cl  Cl12  1  0.250  0.279  0.792  1.0
  Cl  Cl13  1  0.750  0.978  0.900  1.0
  Cl  Cl14  1  0.250  0.022  0.100  1.0
  Cl  Cl15  1  0.750  0.221  0.292  1.0
  Cl  Cl16  1  0.750  0.327  0.006  1.0
  Cl  Cl17  1  0.250  0.779  0.708  1.0
  Cl  Cl18  1  0.750  0.827  0.494  1.0
  Cl  Cl19  1  0.250  0.173  0.506  1.0
[/CIF]
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