The compound described by K2MnI4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to one I(1), one I(3), and four equivalent I(2) atoms to form distorted KI6 pentagonal pyramids that share corners with four equivalent K(2)I6 pentagonal pyramids, corners with two equivalent Mn(1)I4 tetrahedra, edges with two equivalent K(1)I6 pentagonal pyramids, edges with two equivalent Mn(1)I4 tetrahedra, and faces with two equivalent K(2)I6 pentagonal pyramids. In the second K site, K(2) is bonded to one I(1), one I(3), and four equivalent I(2) atoms to form distorted KI6 pentagonal pyramids that share corners with four equivalent K(1)I6 pentagonal pyramids, corners with four equivalent Mn(1)I4 tetrahedra, edges with two equivalent K(2)I6 pentagonal pyramids,  an edgeedge with one Mn(1)I4 tetrahedra, and faces with two equivalent K(1)I6 pentagonal pyramids. Mn(1) is bonded to one I(1), one I(3), and two equivalent I(2) atoms to form MnI4 tetrahedra that share corners with two equivalent K(1)I6 pentagonal pyramids, corners with four equivalent K(2)I6 pentagonal pyramids,  an edgeedge with one K(2)I6 pentagonal pyramid, and edges with two equivalent K(1)I6 pentagonal pyramids. There are three inequivalent I sites. In the first I site, I(1) is bonded in a T-shaped geometry to one K(1), one K(2), and one Mn(1) atom. In the second I site, I(2) is bonded to two equivalent K(1), two equivalent K(2), and one Mn(1) atom to form a mixture of distorted corner, edge, and face-sharing IK4Mn square pyramids. In the third I site, I(3) is bonded in a T-shaped geometry to one K(1), one K(2), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MnI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.961
_cell_length_b   8.203
_cell_length_c   9.695
_cell_angle_alpha   90.000
_cell_angle_beta   108.050
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   602.010
_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  0.217  0.250  0.552  1.0
  K  K1  1  0.783  0.750  0.448  1.0
  K  K2  1  0.259  0.250  0.066  1.0
  K  K3  1  0.741  0.750  0.934  1.0
  Mn  Mn4  1  0.773  0.250  0.699  1.0
  Mn  Mn5  1  0.227  0.750  0.301  1.0
  I  I6  1  0.589  0.250  0.415  1.0
  I  I7  1  0.411  0.750  0.585  1.0
  I  I8  1  0.999  0.005  0.240  1.0
  I  I9  1  0.001  0.995  0.760  1.0
  I  I10  1  0.001  0.505  0.760  1.0
  I  I11  1  0.999  0.495  0.240  1.0
  I  I12  1  0.573  0.250  0.878  1.0
  I  I13  1  0.427  0.750  0.122  1.0
[/CIF]
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The compound described by K2MnI4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to one I(1), one I(3), and four equivalent I(2) atoms to form distorted KI6 pentagonal pyramids that share corners with four equivalent K(2)I6 pentagonal pyramids, corners with two equivalent Mn(1)I4 tetrahedra, edges with two equivalent K(1)I6 pentagonal pyramids, edges with two equivalent Mn(1)I4 tetrahedra, and faces with two equivalent K(2)I6 pentagonal pyramids. In the second K site, K(2) is bonded to one I(1), one I(3), and four equivalent I(2) atoms to form distorted KI6 pentagonal pyramids that share corners with four equivalent K(1)I6 pentagonal pyramids, corners with four equivalent Mn(1)I4 tetrahedra, edges with two equivalent K(2)I6 pentagonal pyramids,  an edgeedge with one Mn(1)I4 tetrahedra, and faces with two equivalent K(1)I6 pentagonal pyramids. Mn(1) is bonded to one I(1), one I(3), and two equivalent I(2) atoms to form MnI4 tetrahedra that share corners with two equivalent K(1)I6 pentagonal pyramids, corners with four equivalent K(2)I6 pentagonal pyramids,  an edgeedge with one K(2)I6 pentagonal pyramid, and edges with two equivalent K(1)I6 pentagonal pyramids. There are three inequivalent I sites. In the first I site, I(1) is bonded in a T-shaped geometry to one K(1), one K(2), and one Mn(1) atom. In the second I site, I(2) is bonded to two equivalent K(1), two equivalent K(2), and one Mn(1) atom to form a mixture of distorted corner, edge, and face-sharing IK4Mn square pyramids. In the third I site, I(3) is bonded in a T-shaped geometry to one K(1), one K(2), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MnI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.961
_cell_length_b   8.203
_cell_length_c   9.695
_cell_angle_alpha   90.000
_cell_angle_beta   108.050
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   602.010
_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  0.217  0.250  0.552  1.0
  K  K1  1  0.783  0.750  0.448  1.0
  K  K2  1  0.259  0.250  0.066  1.0
  K  K3  1  0.741  0.750  0.934  1.0
  Mn  Mn4  1  0.773  0.250  0.699  1.0
  Mn  Mn5  1  0.227  0.750  0.301  1.0
  I  I6  1  0.589  0.250  0.415  1.0
  I  I7  1  0.411  0.750  0.585  1.0
  I  I8  1  0.999  0.005  0.240  1.0
  I  I9  1  0.001  0.995  0.760  1.0
  I  I10  1  0.001  0.505  0.760  1.0
  I  I11  1  0.999  0.495  0.240  1.0
  I  I12  1  0.573  0.250  0.878  1.0
  I  I13  1  0.427  0.750  0.122  1.0
[/CIF]
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