The material structure described by K4Mn3F12 crystallizes in the tetragonal I4_1/amd space group. K(1) is bonded to two equivalent F(1), two equivalent F(2), four equivalent F(3), and four equivalent F(4) atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, faces with two equivalent Mn(1)F6 octahedra, and faces with four equivalent Mn(2)F6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(2) and four equivalent F(4) atoms to form MnF6 octahedra that share corners with six equivalent Mn(2)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Mn site, Mn(2) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with three equivalent Mn(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are four inequivalent F sites. In the first F site, F(2) is bonded in a linear geometry to four equivalent K(1), one Mn(1), and one Mn(2) atom. In the second F site, F(3) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Mn(2) atom. In the third F site, F(4) is bonded in a distorted linear geometry to four equivalent K(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Mn(2) atom. is represented by the CIF card [CIF]
data_K4Mn3F12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.021
_cell_length_b   10.021
_cell_length_c   10.021
_cell_angle_alpha   131.003
_cell_angle_beta   131.003
_cell_angle_gamma   71.807
_symmetry_Int_Tables_number   1
_cell_volume   560.693
_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  0.875  0.403  0.028  1.0
  K  K1  1  0.152  0.625  0.028  1.0
  K  K2  1  0.597  0.125  0.973  1.0
  K  K3  1  0.375  0.848  0.972  1.0
  K  K4  1  0.875  0.848  0.472  1.0
  K  K5  1  0.597  0.625  0.473  1.0
  K  K6  1  0.375  0.403  0.527  1.0
  K  K7  1  0.152  0.125  0.527  1.0
  Mn  Mn8  1  0.750  0.250  0.500  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
  Mn  Mn10  1  0.244  0.244  1.000  1.0
  Mn  Mn11  1  0.994  0.494  0.500  1.0
  Mn  Mn12  1  0.506  0.006  0.500  1.0
  Mn  Mn13  1  0.756  0.756  1.000  1.0
  F  F14  1  0.641  0.641  0.000  1.0
  F  F15  1  0.391  0.891  0.500  1.0
  F  F16  1  0.109  0.609  0.500  1.0
  F  F17  1  0.359  0.359  1.000  1.0
  F  F18  1  0.874  0.874  1.000  1.0
  F  F19  1  0.624  0.124  0.500  1.0
  F  F20  1  0.876  0.376  0.500  1.0
  F  F21  1  0.126  0.126  0.000  1.0
  F  F22  1  0.535  0.757  0.778  1.0
  F  F23  1  0.243  0.021  0.778  1.0
  F  F24  1  0.243  0.465  0.222  1.0
  F  F25  1  0.215  0.493  0.722  1.0
  F  F26  1  0.771  0.493  0.278  1.0
  F  F27  1  0.507  0.229  0.722  1.0
  F  F28  1  0.992  0.245  0.747  1.0
  F  F29  1  0.995  0.748  0.753  1.0
  F  F30  1  0.995  0.241  0.247  1.0
  F  F31  1  0.759  0.005  0.753  1.0
  F  F32  1  0.252  0.005  0.247  1.0
  F  F33  1  0.755  0.502  0.747  1.0
  F  F34  1  0.755  0.008  0.253  1.0
  F  F35  1  0.498  0.245  0.253  1.0
  F  F36  1  0.979  0.757  0.222  1.0
  F  F37  1  0.507  0.785  0.278  1.0
[/CIF]
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The material structure described by K4Mn3F12 crystallizes in the tetragonal I4_1/amd space group. K(1) is bonded to two equivalent F(1), two equivalent F(2), four equivalent F(3), and four equivalent F(4) atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, faces with two equivalent Mn(1)F6 octahedra, and faces with four equivalent Mn(2)F6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(2) and four equivalent F(4) atoms to form MnF6 octahedra that share corners with six equivalent Mn(2)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Mn site, Mn(2) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with three equivalent Mn(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are four inequivalent F sites. In the first F site, F(2) is bonded in a linear geometry to four equivalent K(1), one Mn(1), and one Mn(2) atom. In the second F site, F(3) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Mn(2) atom. In the third F site, F(4) is bonded in a distorted linear geometry to four equivalent K(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Mn(2) atom. is represented by the CIF card [CIF]
data_K4Mn3F12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.021
_cell_length_b   10.021
_cell_length_c   10.021
_cell_angle_alpha   131.003
_cell_angle_beta   131.003
_cell_angle_gamma   71.807
_symmetry_Int_Tables_number   1
_cell_volume   560.693
_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  0.875  0.403  0.028  1.0
  K  K1  1  0.152  0.625  0.028  1.0
  K  K2  1  0.597  0.125  0.973  1.0
  K  K3  1  0.375  0.848  0.972  1.0
  K  K4  1  0.875  0.848  0.472  1.0
  K  K5  1  0.597  0.625  0.473  1.0
  K  K6  1  0.375  0.403  0.527  1.0
  K  K7  1  0.152  0.125  0.527  1.0
  Mn  Mn8  1  0.750  0.250  0.500  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
  Mn  Mn10  1  0.244  0.244  1.000  1.0
  Mn  Mn11  1  0.994  0.494  0.500  1.0
  Mn  Mn12  1  0.506  0.006  0.500  1.0
  Mn  Mn13  1  0.756  0.756  1.000  1.0
  F  F14  1  0.641  0.641  0.000  1.0
  F  F15  1  0.391  0.891  0.500  1.0
  F  F16  1  0.109  0.609  0.500  1.0
  F  F17  1  0.359  0.359  1.000  1.0
  F  F18  1  0.874  0.874  1.000  1.0
  F  F19  1  0.624  0.124  0.500  1.0
  F  F20  1  0.876  0.376  0.500  1.0
  F  F21  1  0.126  0.126  0.000  1.0
  F  F22  1  0.535  0.757  0.778  1.0
  F  F23  1  0.243  0.021  0.778  1.0
  F  F24  1  0.243  0.465  0.222  1.0
  F  F25  1  0.215  0.493  0.722  1.0
  F  F26  1  0.771  0.493  0.278  1.0
  F  F27  1  0.507  0.229  0.722  1.0
  F  F28  1  0.992  0.245  0.747  1.0
  F  F29  1  0.995  0.748  0.753  1.0
  F  F30  1  0.995  0.241  0.247  1.0
  F  F31  1  0.759  0.005  0.753  1.0
  F  F32  1  0.252  0.005  0.247  1.0
  F  F33  1  0.755  0.502  0.747  1.0
  F  F34  1  0.755  0.008  0.253  1.0
  F  F35  1  0.498  0.245  0.253  1.0
  F  F36  1  0.979  0.757  0.222  1.0
  F  F37  1  0.507  0.785  0.278  1.0
[/CIF]
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