The structure described by K3MoReO8 crystallizes in the trigonal R3m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to one O(2), three equivalent O(4), and six equivalent O(3) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to one O(1), three equivalent O(3), and six equivalent O(4) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(1) and three equivalent O(3) atoms. Re(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one K(2) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one K(1) and one Re(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(2), one K(3), two equivalent K(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one K(3), two equivalent K(2), and one Re(1) atom. is represented by the CIF file [CIF]
data_K3ReMoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.885
_cell_length_b   7.885
_cell_length_c   7.885
_cell_angle_alpha   44.912
_cell_angle_beta   44.912
_cell_angle_gamma   44.912
_symmetry_Int_Tables_number   1
_cell_volume   222.415
_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  0.302  0.302  0.302  1.0
  K  K1  1  0.695  0.695  0.695  1.0
  K  K2  1  0.508  0.508  0.508  1.0
  Re  Re3  1  0.097  0.097  0.097  1.0
  Mo  Mo4  1  0.905  0.905  0.905  1.0
  O  O5  1  0.822  0.822  0.822  1.0
  O  O6  1  0.179  0.179  0.179  1.0
  O  O7  1  0.776  0.776  0.251  1.0
  O  O8  1  0.776  0.251  0.776  1.0
  O  O9  1  0.228  0.228  0.754  1.0
  O  O10  1  0.228  0.754  0.228  1.0
  O  O11  1  0.251  0.776  0.776  1.0
  O  O12  1  0.754  0.228  0.228  1.0
[/CIF]
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The structure described by K3MoReO8 crystallizes in the trigonal R3m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to one O(2), three equivalent O(4), and six equivalent O(3) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to one O(1), three equivalent O(3), and six equivalent O(4) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(1) and three equivalent O(3) atoms. Re(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one K(2) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one K(1) and one Re(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(2), one K(3), two equivalent K(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one K(3), two equivalent K(2), and one Re(1) atom. is represented by the CIF file [CIF]
data_K3ReMoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.885
_cell_length_b   7.885
_cell_length_c   7.885
_cell_angle_alpha   44.912
_cell_angle_beta   44.912
_cell_angle_gamma   44.912
_symmetry_Int_Tables_number   1
_cell_volume   222.415
_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  0.302  0.302  0.302  1.0
  K  K1  1  0.695  0.695  0.695  1.0
  K  K2  1  0.508  0.508  0.508  1.0
  Re  Re3  1  0.097  0.097  0.097  1.0
  Mo  Mo4  1  0.905  0.905  0.905  1.0
  O  O5  1  0.822  0.822  0.822  1.0
  O  O6  1  0.179  0.179  0.179  1.0
  O  O7  1  0.776  0.776  0.251  1.0
  O  O8  1  0.776  0.251  0.776  1.0
  O  O9  1  0.228  0.228  0.754  1.0
  O  O10  1  0.228  0.754  0.228  1.0
  O  O11  1  0.251  0.776  0.776  1.0
  O  O12  1  0.754  0.228  0.228  1.0
[/CIF]
.