The compound described by KMg6MnO8 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. K(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form KO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent K(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent K(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent K(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with four equivalent K(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), four equivalent Mg(3), and one Mn(1) atom to form OMg5Mn octahedra that share corners with six equivalent O(1)Mg5Mn octahedra, edges with four equivalent O(3)K2Mg2Mn2 octahedra, edges with four equivalent O(2)KMg5 octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one K(1), one Mg(2), and four equivalent Mg(3) atoms to form OKMg5 octahedra that share corners with six equivalent O(2)KMg5 octahedra, edges with four equivalent O(3)K2Mg2Mn2 octahedra, edges with four equivalent O(1)Mg5Mn octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to two equivalent K(1), two equivalent Mg(3), and two equivalent Mn(1) atoms to form OK2Mg2Mn2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)K2Mg2Mn2 octahedra, edges with four equivalent O(3)K2Mg2Mn2 octahedra, edges with four equivalent O(2)KMg5 octahedra, and edges with four equivalent O(1)Mg5Mn octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with two equivalent O(3)K2Mg2Mn2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(2)KMg5 octahedra, edges with four equivalent O(1)Mg5Mn octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_KMg6MnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.851
_cell_length_b   4.404
_cell_length_c   4.404
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.682
_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  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.000  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.261  0.000  0.500  1.0
  Mg  Mg4  1  0.739  0.000  0.500  1.0
  Mg  Mg5  1  0.261  0.500  0.000  1.0
  Mg  Mg6  1  0.739  0.500  0.000  1.0
  Mn  Mn7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.249  0.000  0.000  1.0
  O  O9  1  0.751  0.000  0.000  1.0
  O  O10  1  0.276  0.500  0.500  1.0
  O  O11  1  0.724  0.500  0.500  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by KMg6MnO8 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. K(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form KO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent K(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent K(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent K(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with four equivalent K(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), four equivalent Mg(3), and one Mn(1) atom to form OMg5Mn octahedra that share corners with six equivalent O(1)Mg5Mn octahedra, edges with four equivalent O(3)K2Mg2Mn2 octahedra, edges with four equivalent O(2)KMg5 octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one K(1), one Mg(2), and four equivalent Mg(3) atoms to form OKMg5 octahedra that share corners with six equivalent O(2)KMg5 octahedra, edges with four equivalent O(3)K2Mg2Mn2 octahedra, edges with four equivalent O(1)Mg5Mn octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to two equivalent K(1), two equivalent Mg(3), and two equivalent Mn(1) atoms to form OK2Mg2Mn2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)K2Mg2Mn2 octahedra, edges with four equivalent O(3)K2Mg2Mn2 octahedra, edges with four equivalent O(2)KMg5 octahedra, and edges with four equivalent O(1)Mg5Mn octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with two equivalent O(3)K2Mg2Mn2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(2)KMg5 octahedra, edges with four equivalent O(1)Mg5Mn octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_KMg6MnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.851
_cell_length_b   4.404
_cell_length_c   4.404
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.682
_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  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.000  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.261  0.000  0.500  1.0
  Mg  Mg4  1  0.739  0.000  0.500  1.0
  Mg  Mg5  1  0.261  0.500  0.000  1.0
  Mg  Mg6  1  0.739  0.500  0.000  1.0
  Mn  Mn7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.249  0.000  0.000  1.0
  O  O9  1  0.751  0.000  0.000  1.0
  O  O10  1  0.276  0.500  0.500  1.0
  O  O11  1  0.724  0.500  0.500  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.500  0.500  0.000  1.0
[/CIF]
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