The compound described by K3NaRe2O9 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted KO12 cuboctahedra that share corners with six equivalent K(1)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, and faces with six equivalent Re(1)O6 octahedra. In the second K site, K(2) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. Na(1) is bonded to six equivalent O(2) atoms to form NaO6 octahedra that share corners with six equivalent Re(1)O6 octahedra and faces with two equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. Re(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted ReO6 octahedra that share corners with three equivalent Na(1)O6 octahedra, faces with three equivalent K(1)O12 cuboctahedra, and  a faceface with one Re(1)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent Re(1) atoms to form a mixture of distorted face and corner-sharing OK4Re2 octahedra. The corner-sharing octahedral tilt angles range from 12-60°. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), two equivalent K(2), one Na(1), and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3NaRe2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.126
_cell_length_b   6.126
_cell_length_c   14.551
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   472.875
_cell_formula_units_Z   2
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  0.000  0.250  1.0
  K  K1  1  0.000  0.000  0.750  1.0
  K  K2  1  0.333  0.667  0.116  1.0
  K  K3  1  0.667  0.333  0.616  1.0
  K  K4  1  0.667  0.333  0.884  1.0
  K  K5  1  0.333  0.667  0.384  1.0
  Na  Na6  1  0.000  0.000  0.000  1.0
  Na  Na7  1  0.000  0.000  0.500  1.0
  Re  Re8  1  0.333  0.667  0.851  1.0
  Re  Re9  1  0.667  0.333  0.351  1.0
  Re  Re10  1  0.667  0.333  0.149  1.0
  Re  Re11  1  0.333  0.667  0.649  1.0
  O  O12  1  0.531  0.062  0.250  1.0
  O  O13  1  0.469  0.531  0.750  1.0
  O  O14  1  0.062  0.531  0.750  1.0
  O  O15  1  0.938  0.469  0.250  1.0
  O  O16  1  0.531  0.469  0.250  1.0
  O  O17  1  0.469  0.938  0.750  1.0
  O  O18  1  0.366  0.183  0.094  1.0
  O  O19  1  0.183  0.366  0.594  1.0
  O  O20  1  0.183  0.817  0.594  1.0
  O  O21  1  0.817  0.183  0.094  1.0
  O  O22  1  0.817  0.634  0.094  1.0
  O  O23  1  0.183  0.817  0.906  1.0
  O  O24  1  0.634  0.817  0.906  1.0
  O  O25  1  0.634  0.817  0.594  1.0
  O  O26  1  0.183  0.366  0.906  1.0
  O  O27  1  0.817  0.634  0.406  1.0
  O  O28  1  0.817  0.183  0.406  1.0
  O  O29  1  0.366  0.183  0.406  1.0
[/CIF]
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The compound described by K3NaRe2O9 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted KO12 cuboctahedra that share corners with six equivalent K(1)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, and faces with six equivalent Re(1)O6 octahedra. In the second K site, K(2) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. Na(1) is bonded to six equivalent O(2) atoms to form NaO6 octahedra that share corners with six equivalent Re(1)O6 octahedra and faces with two equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. Re(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted ReO6 octahedra that share corners with three equivalent Na(1)O6 octahedra, faces with three equivalent K(1)O12 cuboctahedra, and  a faceface with one Re(1)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent Re(1) atoms to form a mixture of distorted face and corner-sharing OK4Re2 octahedra. The corner-sharing octahedral tilt angles range from 12-60°. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), two equivalent K(2), one Na(1), and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3NaRe2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.126
_cell_length_b   6.126
_cell_length_c   14.551
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   472.875
_cell_formula_units_Z   2
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  0.000  0.250  1.0
  K  K1  1  0.000  0.000  0.750  1.0
  K  K2  1  0.333  0.667  0.116  1.0
  K  K3  1  0.667  0.333  0.616  1.0
  K  K4  1  0.667  0.333  0.884  1.0
  K  K5  1  0.333  0.667  0.384  1.0
  Na  Na6  1  0.000  0.000  0.000  1.0
  Na  Na7  1  0.000  0.000  0.500  1.0
  Re  Re8  1  0.333  0.667  0.851  1.0
  Re  Re9  1  0.667  0.333  0.351  1.0
  Re  Re10  1  0.667  0.333  0.149  1.0
  Re  Re11  1  0.333  0.667  0.649  1.0
  O  O12  1  0.531  0.062  0.250  1.0
  O  O13  1  0.469  0.531  0.750  1.0
  O  O14  1  0.062  0.531  0.750  1.0
  O  O15  1  0.938  0.469  0.250  1.0
  O  O16  1  0.531  0.469  0.250  1.0
  O  O17  1  0.469  0.938  0.750  1.0
  O  O18  1  0.366  0.183  0.094  1.0
  O  O19  1  0.183  0.366  0.594  1.0
  O  O20  1  0.183  0.817  0.594  1.0
  O  O21  1  0.817  0.183  0.094  1.0
  O  O22  1  0.817  0.634  0.094  1.0
  O  O23  1  0.183  0.817  0.906  1.0
  O  O24  1  0.634  0.817  0.906  1.0
  O  O25  1  0.634  0.817  0.594  1.0
  O  O26  1  0.183  0.366  0.906  1.0
  O  O27  1  0.817  0.634  0.406  1.0
  O  O28  1  0.817  0.183  0.406  1.0
  O  O29  1  0.366  0.183  0.406  1.0
[/CIF]
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