The compound described by KMgMn2O4 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. K(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form KO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent K(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent K(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent K(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent K(1)O6 octahedra, edges with two equivalent K(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one K(1), two equivalent Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form OKMg2Mn3 octahedra that share corners with six equivalent O(1)KMg2Mn3 octahedra, edges with four equivalent O(1)KMg2Mn3 octahedra, and edges with eight equivalent O(2)K2MgMn3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent K(1), one Mg(1), one Mn(1), and two equivalent Mn(2) atoms to form OK2MgMn3 octahedra that share corners with six equivalent O(2)K2MgMn3 octahedra, edges with four equivalent O(2)K2MgMn3 octahedra, and edges with eight equivalent O(1)KMg2Mn3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMgMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.228
_cell_length_b   5.619
_cell_length_c   5.513
_cell_angle_alpha   106.119
_cell_angle_beta   93.064
_cell_angle_gamma   92.861
_symmetry_Int_Tables_number   1
_cell_volume   95.717
_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  0.000  0.500  0.500  1.0
  Mn  Mn2  1  1.000  0.000  1.000  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.505  0.714  0.766  1.0
  O  O5  1  0.040  0.294  0.786  1.0
  O  O6  1  0.960  0.706  0.214  1.0
  O  O7  1  0.494  0.286  0.234  1.0
[/CIF]
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The compound described by KMgMn2O4 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. K(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form KO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent K(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent K(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent K(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent K(1)O6 octahedra, edges with two equivalent K(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one K(1), two equivalent Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form OKMg2Mn3 octahedra that share corners with six equivalent O(1)KMg2Mn3 octahedra, edges with four equivalent O(1)KMg2Mn3 octahedra, and edges with eight equivalent O(2)K2MgMn3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent K(1), one Mg(1), one Mn(1), and two equivalent Mn(2) atoms to form OK2MgMn3 octahedra that share corners with six equivalent O(2)K2MgMn3 octahedra, edges with four equivalent O(2)K2MgMn3 octahedra, and edges with eight equivalent O(1)KMg2Mn3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMgMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.228
_cell_length_b   5.619
_cell_length_c   5.513
_cell_angle_alpha   106.119
_cell_angle_beta   93.064
_cell_angle_gamma   92.861
_symmetry_Int_Tables_number   1
_cell_volume   95.717
_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  0.000  0.500  0.500  1.0
  Mn  Mn2  1  1.000  0.000  1.000  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.505  0.714  0.766  1.0
  O  O5  1  0.040  0.294  0.786  1.0
  O  O6  1  0.960  0.706  0.214  1.0
  O  O7  1  0.494  0.286  0.234  1.0
[/CIF]
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