The compound described by K3Mn is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent K(2) and four equivalent Mn(1) atoms to form distorted KK4Mn4 cuboctahedra that share corners with eight equivalent K(1)K4Mn4 cuboctahedra, corners with eight equivalent K(2)K8Mn4 cuboctahedra, corners with eight equivalent Mn(1)K12 cuboctahedra, edges with four equivalent K(2)K8Mn4 cuboctahedra, edges with four equivalent Mn(1)K12 cuboctahedra, edges with twelve equivalent K(1)K4Mn4 cuboctahedra, and faces with six equivalent K(1)K4Mn4 cuboctahedra. In the second K site, K(2) is bonded to eight equivalent K(1) and four equivalent Mn(1) atoms to form KK8Mn4 cuboctahedra that share corners with four equivalent K(2)K8Mn4 cuboctahedra, corners with eight equivalent Mn(1)K12 cuboctahedra, corners with sixteen equivalent K(1)K4Mn4 cuboctahedra, edges with eight equivalent K(1)K4Mn4 cuboctahedra, edges with eight equivalent K(2)K8Mn4 cuboctahedra, faces with four equivalent K(2)K8Mn4 cuboctahedra, and faces with six equivalent Mn(1)K12 cuboctahedra. Mn(1) is bonded to four equivalent K(2) and eight equivalent K(1) atoms to form MnK12 cuboctahedra that share corners with four equivalent Mn(1)K12 cuboctahedra, corners with eight equivalent K(2)K8Mn4 cuboctahedra, corners with sixteen equivalent K(1)K4Mn4 cuboctahedra, edges with eight equivalent K(1)K4Mn4 cuboctahedra, edges with eight equivalent Mn(1)K12 cuboctahedra, faces with four equivalent Mn(1)K12 cuboctahedra, and faces with six equivalent K(2)K8Mn4 cuboctahedra. is represented by the CIF file [CIF]
data_K3Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.999
_cell_length_b   6.999
_cell_length_c   6.999
_cell_angle_alpha   129.846
_cell_angle_beta   129.846
_cell_angle_gamma   73.653
_symmetry_Int_Tables_number   1
_cell_volume   197.189
_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  0.750  0.250  0.500  1.0
  K  K1  1  0.250  0.750  0.500  1.0
  K  K2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by K3Mn is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent K(2) and four equivalent Mn(1) atoms to form distorted KK4Mn4 cuboctahedra that share corners with eight equivalent K(1)K4Mn4 cuboctahedra, corners with eight equivalent K(2)K8Mn4 cuboctahedra, corners with eight equivalent Mn(1)K12 cuboctahedra, edges with four equivalent K(2)K8Mn4 cuboctahedra, edges with four equivalent Mn(1)K12 cuboctahedra, edges with twelve equivalent K(1)K4Mn4 cuboctahedra, and faces with six equivalent K(1)K4Mn4 cuboctahedra. In the second K site, K(2) is bonded to eight equivalent K(1) and four equivalent Mn(1) atoms to form KK8Mn4 cuboctahedra that share corners with four equivalent K(2)K8Mn4 cuboctahedra, corners with eight equivalent Mn(1)K12 cuboctahedra, corners with sixteen equivalent K(1)K4Mn4 cuboctahedra, edges with eight equivalent K(1)K4Mn4 cuboctahedra, edges with eight equivalent K(2)K8Mn4 cuboctahedra, faces with four equivalent K(2)K8Mn4 cuboctahedra, and faces with six equivalent Mn(1)K12 cuboctahedra. Mn(1) is bonded to four equivalent K(2) and eight equivalent K(1) atoms to form MnK12 cuboctahedra that share corners with four equivalent Mn(1)K12 cuboctahedra, corners with eight equivalent K(2)K8Mn4 cuboctahedra, corners with sixteen equivalent K(1)K4Mn4 cuboctahedra, edges with eight equivalent K(1)K4Mn4 cuboctahedra, edges with eight equivalent Mn(1)K12 cuboctahedra, faces with four equivalent Mn(1)K12 cuboctahedra, and faces with six equivalent K(2)K8Mn4 cuboctahedra. is represented by the CIF file [CIF]
data_K3Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.999
_cell_length_b   6.999
_cell_length_c   6.999
_cell_angle_alpha   129.846
_cell_angle_beta   129.846
_cell_angle_gamma   73.653
_symmetry_Int_Tables_number   1
_cell_volume   197.189
_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  0.750  0.250  0.500  1.0
  K  K1  1  0.250  0.750  0.500  1.0
  K  K2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
[/CIF]
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