The structure described by KFe(MoO4)2 crystallizes in the trigonal P-3m1 space group. K(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form KO12 cuboctahedra that share edges with six equivalent K(1)O12 cuboctahedra, edges with six equivalent Mo(1)O4 tetrahedra, and faces with two equivalent Fe(1)O6 octahedra. Mo(1) is bonded to one O(1) and three equivalent O(2) atoms to form MoO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and edges with three equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 18°. Fe(1) is bonded to six equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra and faces with two equivalent K(1)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent K(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one Fe(1) atom. is represented by the CIF card [CIF]
data_KFe(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.676
_cell_length_b   5.677
_cell_length_c   7.023
_cell_angle_alpha   90.027
_cell_angle_beta   90.013
_cell_angle_gamma   60.011
_symmetry_Int_Tables_number   1
_cell_volume   196.017
_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
  Fe  Fe0  1  1.000  0.000  0.500  1.0
  K  K1  1  0.000  1.000  1.000  1.0
  Mo  Mo2  1  0.333  0.333  0.748  1.0
  Mo  Mo3  1  0.667  0.667  0.252  1.0
  O  O4  1  0.333  0.334  0.993  1.0
  O  O5  1  0.667  0.666  0.007  1.0
  O  O6  1  0.676  0.161  0.669  1.0
  O  O7  1  0.162  0.676  0.668  1.0
  O  O8  1  0.839  0.839  0.331  1.0
  O  O9  1  0.324  0.839  0.331  1.0
  O  O10  1  0.161  0.161  0.669  1.0
  O  O11  1  0.838  0.324  0.332  1.0
[/CIF]
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The structure described by KFe(MoO4)2 crystallizes in the trigonal P-3m1 space group. K(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form KO12 cuboctahedra that share edges with six equivalent K(1)O12 cuboctahedra, edges with six equivalent Mo(1)O4 tetrahedra, and faces with two equivalent Fe(1)O6 octahedra. Mo(1) is bonded to one O(1) and three equivalent O(2) atoms to form MoO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and edges with three equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 18°. Fe(1) is bonded to six equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra and faces with two equivalent K(1)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent K(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one Fe(1) atom. is represented by the CIF card [CIF]
data_KFe(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.676
_cell_length_b   5.677
_cell_length_c   7.023
_cell_angle_alpha   90.027
_cell_angle_beta   90.013
_cell_angle_gamma   60.011
_symmetry_Int_Tables_number   1
_cell_volume   196.017
_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
  Fe  Fe0  1  1.000  0.000  0.500  1.0
  K  K1  1  0.000  1.000  1.000  1.0
  Mo  Mo2  1  0.333  0.333  0.748  1.0
  Mo  Mo3  1  0.667  0.667  0.252  1.0
  O  O4  1  0.333  0.334  0.993  1.0
  O  O5  1  0.667  0.666  0.007  1.0
  O  O6  1  0.676  0.161  0.669  1.0
  O  O7  1  0.162  0.676  0.668  1.0
  O  O8  1  0.839  0.839  0.331  1.0
  O  O9  1  0.324  0.839  0.331  1.0
  O  O10  1  0.161  0.161  0.669  1.0
  O  O11  1  0.838  0.324  0.332  1.0
[/CIF]
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