The material described by KMgMn4O8 crystallizes in the triclinic P-1 space group. K(1) is bonded to two equivalent O(2) and four O(3,3) atoms to form distorted KO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra; edges with two equivalent Mn(2)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four O(3,3) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent K(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent K(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(2) is bonded to two equivalent O(1) and four O(3,3) atoms to form MnO6 octahedra that share edges with two equivalent K(1)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. In the fourth Mn site, Mn(3) is bonded to two equivalent O(2) and four O(3,3) atoms to form MnO6 octahedra that share corners with six equivalent K(1)O6 octahedra; edges with two equivalent Mn(2)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1); one Mn(2); and two Mn(1,1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one K(1); one Mn(3); and two Mn(1,1) atoms. In the third O site, O(3) is bonded to one K(1), one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of edge and corner-sharing OKMgMn3 square pyramids. In the fourth O site, O(3) is bonded to one K(1), one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted edge and corner-sharing OKMgMn3 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.138
_cell_length_b   6.096
_cell_length_c   6.407
_cell_angle_alpha   90.170
_cell_angle_beta   117.324
_cell_angle_gamma   119.737
_symmetry_Int_Tables_number   1
_cell_volume   176.475
_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  0.500  1.000  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  1.000  1.000  1.000  1.0
  Mn  Mn3  1  1.000  0.500  1.000  1.0
  Mn  Mn4  1  0.500  0.000  1.000  1.0
  Mn  Mn5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.002  0.750  0.798  1.0
  O  O7  1  0.021  0.260  0.819  1.0
  O  O8  1  0.565  0.309  0.808  1.0
  O  O9  1  0.565  0.755  0.807  1.0
  O  O10  1  0.435  0.691  0.192  1.0
  O  O11  1  0.435  0.245  0.193  1.0
  O  O12  1  0.998  0.250  0.202  1.0
  O  O13  1  0.979  0.740  0.181  1.0
[/CIF]
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The material described by KMgMn4O8 crystallizes in the triclinic P-1 space group. K(1) is bonded to two equivalent O(2) and four O(3,3) atoms to form distorted KO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra; edges with two equivalent Mn(2)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four O(3,3) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent K(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent K(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(2) is bonded to two equivalent O(1) and four O(3,3) atoms to form MnO6 octahedra that share edges with two equivalent K(1)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. In the fourth Mn site, Mn(3) is bonded to two equivalent O(2) and four O(3,3) atoms to form MnO6 octahedra that share corners with six equivalent K(1)O6 octahedra; edges with two equivalent Mn(2)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1); one Mn(2); and two Mn(1,1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one K(1); one Mn(3); and two Mn(1,1) atoms. In the third O site, O(3) is bonded to one K(1), one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of edge and corner-sharing OKMgMn3 square pyramids. In the fourth O site, O(3) is bonded to one K(1), one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted edge and corner-sharing OKMgMn3 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.138
_cell_length_b   6.096
_cell_length_c   6.407
_cell_angle_alpha   90.170
_cell_angle_beta   117.324
_cell_angle_gamma   119.737
_symmetry_Int_Tables_number   1
_cell_volume   176.475
_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  0.500  1.000  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  1.000  1.000  1.000  1.0
  Mn  Mn3  1  1.000  0.500  1.000  1.0
  Mn  Mn4  1  0.500  0.000  1.000  1.0
  Mn  Mn5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.002  0.750  0.798  1.0
  O  O7  1  0.021  0.260  0.819  1.0
  O  O8  1  0.565  0.309  0.808  1.0
  O  O9  1  0.565  0.755  0.807  1.0
  O  O10  1  0.435  0.691  0.192  1.0
  O  O11  1  0.435  0.245  0.193  1.0
  O  O12  1  0.998  0.250  0.202  1.0
  O  O13  1  0.979  0.740  0.181  1.0
[/CIF]
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