The structure described by KMnCl3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent Cl(2) and six equivalent Cl(1) atoms. Mn(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form corner-sharing MnCl6 octahedra. The corner-sharing octahedral tilt angles range from 19-24°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent K(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing ClK3Mn2 trigonal bipyramids. In the second Cl site, Cl(2) is bonded in a distorted see-saw-like geometry to two equivalent K(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_KMnCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.969
_cell_length_b   7.096
_cell_length_c   9.990
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   494.009
_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  0.987  0.050  0.250  1.0
  K  K1  1  0.487  0.450  0.750  1.0
  K  K2  1  0.513  0.550  0.250  1.0
  K  K3  1  0.013  0.950  0.750  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  Mn  Mn6  1  0.000  0.500  0.500  1.0
  Mn  Mn7  1  0.500  0.000  0.500  1.0
  Cl  Cl8  1  0.707  0.292  0.469  1.0
  Cl  Cl9  1  0.207  0.208  0.531  1.0
  Cl  Cl10  1  0.793  0.792  0.031  1.0
  Cl  Cl11  1  0.293  0.708  0.969  1.0
  Cl  Cl12  1  0.293  0.708  0.531  1.0
  Cl  Cl13  1  0.793  0.792  0.469  1.0
  Cl  Cl14  1  0.207  0.208  0.969  1.0
  Cl  Cl15  1  0.707  0.292  0.031  1.0
  Cl  Cl16  1  0.061  0.494  0.250  1.0
  Cl  Cl17  1  0.561  0.006  0.750  1.0
  Cl  Cl18  1  0.439  0.994  0.250  1.0
  Cl  Cl19  1  0.939  0.506  0.750  1.0
[/CIF]
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The structure described by KMnCl3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent Cl(2) and six equivalent Cl(1) atoms. Mn(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form corner-sharing MnCl6 octahedra. The corner-sharing octahedral tilt angles range from 19-24°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent K(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing ClK3Mn2 trigonal bipyramids. In the second Cl site, Cl(2) is bonded in a distorted see-saw-like geometry to two equivalent K(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_KMnCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.969
_cell_length_b   7.096
_cell_length_c   9.990
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   494.009
_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  0.987  0.050  0.250  1.0
  K  K1  1  0.487  0.450  0.750  1.0
  K  K2  1  0.513  0.550  0.250  1.0
  K  K3  1  0.013  0.950  0.750  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  Mn  Mn6  1  0.000  0.500  0.500  1.0
  Mn  Mn7  1  0.500  0.000  0.500  1.0
  Cl  Cl8  1  0.707  0.292  0.469  1.0
  Cl  Cl9  1  0.207  0.208  0.531  1.0
  Cl  Cl10  1  0.793  0.792  0.031  1.0
  Cl  Cl11  1  0.293  0.708  0.969  1.0
  Cl  Cl12  1  0.293  0.708  0.531  1.0
  Cl  Cl13  1  0.793  0.792  0.469  1.0
  Cl  Cl14  1  0.207  0.208  0.969  1.0
  Cl  Cl15  1  0.707  0.292  0.031  1.0
  Cl  Cl16  1  0.061  0.494  0.250  1.0
  Cl  Cl17  1  0.561  0.006  0.750  1.0
  Cl  Cl18  1  0.439  0.994  0.250  1.0
  Cl  Cl19  1  0.939  0.506  0.750  1.0
[/CIF]
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