The crystal structure described by KMg6FeO8 is Caswellsilverite-derived structured and crystallizes in the tetragonal P4/mmm space group. K(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form KO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent K(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. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Fe(1)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 Mg(1)O6 octahedra, corners with four equivalent Mg(2)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. 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 Fe(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent K(1)O6 octahedra, corners with four equivalent Fe(1)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. There are four inequivalent O sites. In the first O site, O(1) is bonded to one K(1), four equivalent Mg(3), and one Fe(1) atom to form distorted OKMg4Fe octahedra that share corners with six equivalent O(1)KMg4Fe octahedra, edges with four equivalent O(4)K2Mg4 octahedra, edges with four equivalent O(3)Mg4Fe2 octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the second O site, O(2) is bonded to one Mg(1), one Mg(2), and four equivalent Mg(3) atoms to form OMg6 octahedra that share corners with six equivalent O(2)Mg6 octahedra, edges with four equivalent O(4)K2Mg4 octahedra, edges with four equivalent O(1)KMg4Fe octahedra, and edges with four equivalent O(3)Mg4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded to two equivalent Mg(1), two equivalent Mg(3), and two equivalent Fe(1) atoms to form OMg4Fe2 octahedra that share corners with two equivalent O(4)K2Mg4 octahedra, corners with four equivalent O(3)Mg4Fe2 octahedra, edges with four equivalent O(1)KMg4Fe octahedra, edges with four equivalent O(3)Mg4Fe2 octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent K(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OK2Mg4 octahedra that share corners with two equivalent O(3)Mg4Fe2 octahedra, corners with four equivalent O(4)K2Mg4 octahedra, edges with four equivalent O(4)K2Mg4 octahedra, edges with four equivalent O(1)KMg4Fe octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_KMg6FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.586
_cell_length_b   4.495
_cell_length_c   4.495
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.452
_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  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.500  0.500  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.257  0.000  0.500  1.0
  Mg  Mg4  1  0.743  0.000  0.500  1.0
  Mg  Mg5  1  0.257  0.500  0.000  1.0
  Mg  Mg6  1  0.743  0.500  0.000  1.0
  Fe  Fe7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.219  0.000  0.000  1.0
  O  O9  1  0.781  0.000  0.000  1.0
  O  O10  1  0.246  0.500  0.500  1.0
  O  O11  1  0.754  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 crystal structure described by KMg6FeO8 is Caswellsilverite-derived structured and crystallizes in the tetragonal P4/mmm space group. K(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form KO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent K(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. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Fe(1)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 Mg(1)O6 octahedra, corners with four equivalent Mg(2)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. 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 Fe(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent K(1)O6 octahedra, corners with four equivalent Fe(1)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. There are four inequivalent O sites. In the first O site, O(1) is bonded to one K(1), four equivalent Mg(3), and one Fe(1) atom to form distorted OKMg4Fe octahedra that share corners with six equivalent O(1)KMg4Fe octahedra, edges with four equivalent O(4)K2Mg4 octahedra, edges with four equivalent O(3)Mg4Fe2 octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the second O site, O(2) is bonded to one Mg(1), one Mg(2), and four equivalent Mg(3) atoms to form OMg6 octahedra that share corners with six equivalent O(2)Mg6 octahedra, edges with four equivalent O(4)K2Mg4 octahedra, edges with four equivalent O(1)KMg4Fe octahedra, and edges with four equivalent O(3)Mg4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded to two equivalent Mg(1), two equivalent Mg(3), and two equivalent Fe(1) atoms to form OMg4Fe2 octahedra that share corners with two equivalent O(4)K2Mg4 octahedra, corners with four equivalent O(3)Mg4Fe2 octahedra, edges with four equivalent O(1)KMg4Fe octahedra, edges with four equivalent O(3)Mg4Fe2 octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent K(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OK2Mg4 octahedra that share corners with two equivalent O(3)Mg4Fe2 octahedra, corners with four equivalent O(4)K2Mg4 octahedra, edges with four equivalent O(4)K2Mg4 octahedra, edges with four equivalent O(1)KMg4Fe octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_KMg6FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.586
_cell_length_b   4.495
_cell_length_c   4.495
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.452
_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  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.500  0.500  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.257  0.000  0.500  1.0
  Mg  Mg4  1  0.743  0.000  0.500  1.0
  Mg  Mg5  1  0.257  0.500  0.000  1.0
  Mg  Mg6  1  0.743  0.500  0.000  1.0
  Fe  Fe7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.219  0.000  0.000  1.0
  O  O9  1  0.781  0.000  0.000  1.0
  O  O10  1  0.246  0.500  0.500  1.0
  O  O11  1  0.754  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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