The crystal structure described by KMgMoO3 crystallizes in the tetragonal P4/mmm space group. K(1) is bonded to two equivalent Mg(1) and four equivalent O(2) atoms to form KMg2O4 octahedra that share corners with six equivalent K(1)Mg2O4 octahedra, corners with eight equivalent Mo(1)O6 octahedra, and edges with four equivalent K(1)Mg2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. Mg(1) is bonded to two equivalent K(1) and four equivalent O(1) atoms to form distorted MgK2O4 octahedra that share corners with six equivalent Mg(1)K2O4 octahedra, corners with eight equivalent O(2)K4Mo2 octahedra, and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra, corners with eight equivalent K(1)Mg2O4 octahedra, and edges with four equivalent Mg(1)K2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded to four equivalent K(1) and two equivalent Mo(1) atoms to form OK4Mo2 octahedra that share corners with six equivalent O(2)K4Mo2 octahedra, corners with eight equivalent Mg(1)K2O4 octahedra, and edges with four equivalent O(2)K4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. is represented by the CIF card [CIF]
data_KMgMoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.188
_cell_length_b   4.995
_cell_length_c   4.188
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   87.615
_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  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Mo  Mo2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.000  0.000  1.0
  O  O4  1  0.000  0.500  0.000  1.0
  O  O5  1  0.000  0.000  0.500  1.0
[/CIF]
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The crystal structure described by KMgMoO3 crystallizes in the tetragonal P4/mmm space group. K(1) is bonded to two equivalent Mg(1) and four equivalent O(2) atoms to form KMg2O4 octahedra that share corners with six equivalent K(1)Mg2O4 octahedra, corners with eight equivalent Mo(1)O6 octahedra, and edges with four equivalent K(1)Mg2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. Mg(1) is bonded to two equivalent K(1) and four equivalent O(1) atoms to form distorted MgK2O4 octahedra that share corners with six equivalent Mg(1)K2O4 octahedra, corners with eight equivalent O(2)K4Mo2 octahedra, and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra, corners with eight equivalent K(1)Mg2O4 octahedra, and edges with four equivalent Mg(1)K2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded to four equivalent K(1) and two equivalent Mo(1) atoms to form OK4Mo2 octahedra that share corners with six equivalent O(2)K4Mo2 octahedra, corners with eight equivalent Mg(1)K2O4 octahedra, and edges with four equivalent O(2)K4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. is represented by the CIF card [CIF]
data_KMgMoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.188
_cell_length_b   4.995
_cell_length_c   4.188
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   87.615
_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  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Mo  Mo2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.000  0.000  1.0
  O  O4  1  0.000  0.500  0.000  1.0
  O  O5  1  0.000  0.000  0.500  1.0
[/CIF]
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