The material described by K3NaOs2O9 crystallizes in the hexagonal P-6m2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form distorted KO12 cuboctahedra that share corners with six equivalent K(1)O12 cuboctahedra, corners with six equivalent K(4)O12 cuboctahedra, faces with six equivalent K(3)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, and faces with six equivalent Os(1)O6 octahedra. In the second K site, K(2) is bonded to six equivalent O(2) and six equivalent O(4) atoms to form distorted KO12 cuboctahedra that share corners with six equivalent K(2)O12 cuboctahedra, corners with six equivalent K(3)O12 cuboctahedra, faces with six equivalent K(4)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, and faces with six equivalent Os(2)O6 octahedra. In the third K site, K(3) is bonded to three equivalent O(1), three equivalent O(4), and six equivalent O(3) atoms to form distorted KO12 cuboctahedra that share corners with three equivalent K(2)O12 cuboctahedra, corners with six equivalent K(3)O12 cuboctahedra, corners with three equivalent Os(1)O6 octahedra,  a faceface with one K(3)O12 cuboctahedra, faces with three equivalent K(1)O12 cuboctahedra, faces with three equivalent K(4)O12 cuboctahedra,  a faceface with one Os(2)O6 octahedra, faces with three equivalent Na(1)O6 octahedra, and faces with three equivalent Os(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fourth K site, K(4) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(4) atoms to form distorted KO12 cuboctahedra that share corners with three equivalent K(1)O12 cuboctahedra, corners with six equivalent K(4)O12 cuboctahedra, corners with three equivalent Os(2)O6 octahedra,  a faceface with one K(4)O12 cuboctahedra, faces with three equivalent K(2)O12 cuboctahedra, faces with three equivalent K(3)O12 cuboctahedra,  a faceface with one Os(1)O6 octahedra, faces with three equivalent Na(1)O6 octahedra, and faces with three equivalent Os(2)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. Na(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form NaO6 octahedra that share corners with three equivalent Os(1)O6 octahedra, corners with three equivalent Os(2)O6 octahedra,  a faceface with one K(1)O12 cuboctahedra,  a faceface with one K(2)O12 cuboctahedra, faces with three equivalent K(3)O12 cuboctahedra, and faces with three equivalent K(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form distorted OsO6 octahedra that share corners with three equivalent K(3)O12 cuboctahedra, corners with three equivalent Na(1)O6 octahedra,  a faceface with one K(4)O12 cuboctahedra, faces with three equivalent K(1)O12 cuboctahedra, faces with three equivalent K(3)O12 cuboctahedra, and  a faceface with one Os(1)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Os site, Os(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted OsO6 octahedra that share corners with three equivalent K(4)O12 cuboctahedra, corners with three equivalent Na(1)O6 octahedra,  a faceface with one K(3)O12 cuboctahedra, faces with three equivalent K(2)O12 cuboctahedra, faces with three equivalent K(4)O12 cuboctahedra, and  a faceface with one Os(2)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1), two equivalent K(3), and two equivalent Os(1) atoms to form a mixture of distorted corner and face-sharing OK4Os2 octahedra. The corner-sharing octahedral tilt angles range from 12-60°. In the second O site, O(2) is bonded to two equivalent K(2), two equivalent K(4), and two equivalent Os(2) atoms to form a mixture of distorted corner and face-sharing OK4Os2 octahedra. The corner-sharing octahedral tilt angles range from 12-60°. In the third O site, O(3) is bonded in a distorted linear geometry to one K(1), one K(4), two equivalent K(3), one Na(1), and one Os(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one K(2), one K(3), two equivalent K(4), one Na(1), and one Os(2) atom. is represented by the CIF file [CIF]
data_K3NaOs2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.983
_cell_length_b   5.983
_cell_length_c   14.261
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   442.021
_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  0.393  1.0
  K  K3  1  0.667  0.333  0.607  1.0
  K  K4  1  0.667  0.333  0.893  1.0
  K  K5  1  0.333  0.667  0.106  1.0
  Na  Na6  1  0.000  0.000  0.500  1.0
  Na  Na7  1  0.000  0.000  1.000  1.0
  Os  Os8  1  0.667  0.333  0.351  1.0
  Os  Os9  1  0.333  0.667  0.649  1.0
  Os  Os10  1  0.333  0.667  0.851  1.0
  Os  Os11  1  0.667  0.333  0.149  1.0
  O  O12  1  0.530  0.470  0.250  1.0
  O  O13  1  0.530  0.060  0.250  1.0
  O  O14  1  0.940  0.470  0.250  1.0
  O  O15  1  0.470  0.530  0.750  1.0
  O  O16  1  0.470  0.940  0.750  1.0
  O  O17  1  0.060  0.530  0.750  1.0
  O  O18  1  0.361  0.181  0.410  1.0
  O  O19  1  0.819  0.181  0.410  1.0
  O  O20  1  0.819  0.639  0.410  1.0
  O  O21  1  0.639  0.819  0.590  1.0
  O  O22  1  0.181  0.819  0.590  1.0
  O  O23  1  0.181  0.361  0.590  1.0
  O  O24  1  0.639  0.819  0.910  1.0
  O  O25  1  0.181  0.819  0.910  1.0
  O  O26  1  0.181  0.361  0.910  1.0
  O  O27  1  0.361  0.181  0.090  1.0
  O  O28  1  0.819  0.181  0.090  1.0
  O  O29  1  0.819  0.639  0.090  1.0
[/CIF]
.
The material described by K3NaOs2O9 crystallizes in the hexagonal P-6m2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form distorted KO12 cuboctahedra that share corners with six equivalent K(1)O12 cuboctahedra, corners with six equivalent K(4)O12 cuboctahedra, faces with six equivalent K(3)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, and faces with six equivalent Os(1)O6 octahedra. In the second K site, K(2) is bonded to six equivalent O(2) and six equivalent O(4) atoms to form distorted KO12 cuboctahedra that share corners with six equivalent K(2)O12 cuboctahedra, corners with six equivalent K(3)O12 cuboctahedra, faces with six equivalent K(4)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, and faces with six equivalent Os(2)O6 octahedra. In the third K site, K(3) is bonded to three equivalent O(1), three equivalent O(4), and six equivalent O(3) atoms to form distorted KO12 cuboctahedra that share corners with three equivalent K(2)O12 cuboctahedra, corners with six equivalent K(3)O12 cuboctahedra, corners with three equivalent Os(1)O6 octahedra,  a faceface with one K(3)O12 cuboctahedra, faces with three equivalent K(1)O12 cuboctahedra, faces with three equivalent K(4)O12 cuboctahedra,  a faceface with one Os(2)O6 octahedra, faces with three equivalent Na(1)O6 octahedra, and faces with three equivalent Os(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fourth K site, K(4) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(4) atoms to form distorted KO12 cuboctahedra that share corners with three equivalent K(1)O12 cuboctahedra, corners with six equivalent K(4)O12 cuboctahedra, corners with three equivalent Os(2)O6 octahedra,  a faceface with one K(4)O12 cuboctahedra, faces with three equivalent K(2)O12 cuboctahedra, faces with three equivalent K(3)O12 cuboctahedra,  a faceface with one Os(1)O6 octahedra, faces with three equivalent Na(1)O6 octahedra, and faces with three equivalent Os(2)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. Na(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form NaO6 octahedra that share corners with three equivalent Os(1)O6 octahedra, corners with three equivalent Os(2)O6 octahedra,  a faceface with one K(1)O12 cuboctahedra,  a faceface with one K(2)O12 cuboctahedra, faces with three equivalent K(3)O12 cuboctahedra, and faces with three equivalent K(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form distorted OsO6 octahedra that share corners with three equivalent K(3)O12 cuboctahedra, corners with three equivalent Na(1)O6 octahedra,  a faceface with one K(4)O12 cuboctahedra, faces with three equivalent K(1)O12 cuboctahedra, faces with three equivalent K(3)O12 cuboctahedra, and  a faceface with one Os(1)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Os site, Os(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted OsO6 octahedra that share corners with three equivalent K(4)O12 cuboctahedra, corners with three equivalent Na(1)O6 octahedra,  a faceface with one K(3)O12 cuboctahedra, faces with three equivalent K(2)O12 cuboctahedra, faces with three equivalent K(4)O12 cuboctahedra, and  a faceface with one Os(2)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1), two equivalent K(3), and two equivalent Os(1) atoms to form a mixture of distorted corner and face-sharing OK4Os2 octahedra. The corner-sharing octahedral tilt angles range from 12-60°. In the second O site, O(2) is bonded to two equivalent K(2), two equivalent K(4), and two equivalent Os(2) atoms to form a mixture of distorted corner and face-sharing OK4Os2 octahedra. The corner-sharing octahedral tilt angles range from 12-60°. In the third O site, O(3) is bonded in a distorted linear geometry to one K(1), one K(4), two equivalent K(3), one Na(1), and one Os(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one K(2), one K(3), two equivalent K(4), one Na(1), and one Os(2) atom. is represented by the CIF file [CIF]
data_K3NaOs2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.983
_cell_length_b   5.983
_cell_length_c   14.261
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   442.021
_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  0.393  1.0
  K  K3  1  0.667  0.333  0.607  1.0
  K  K4  1  0.667  0.333  0.893  1.0
  K  K5  1  0.333  0.667  0.106  1.0
  Na  Na6  1  0.000  0.000  0.500  1.0
  Na  Na7  1  0.000  0.000  1.000  1.0
  Os  Os8  1  0.667  0.333  0.351  1.0
  Os  Os9  1  0.333  0.667  0.649  1.0
  Os  Os10  1  0.333  0.667  0.851  1.0
  Os  Os11  1  0.667  0.333  0.149  1.0
  O  O12  1  0.530  0.470  0.250  1.0
  O  O13  1  0.530  0.060  0.250  1.0
  O  O14  1  0.940  0.470  0.250  1.0
  O  O15  1  0.470  0.530  0.750  1.0
  O  O16  1  0.470  0.940  0.750  1.0
  O  O17  1  0.060  0.530  0.750  1.0
  O  O18  1  0.361  0.181  0.410  1.0
  O  O19  1  0.819  0.181  0.410  1.0
  O  O20  1  0.819  0.639  0.410  1.0
  O  O21  1  0.639  0.819  0.590  1.0
  O  O22  1  0.181  0.819  0.590  1.0
  O  O23  1  0.181  0.361  0.590  1.0
  O  O24  1  0.639  0.819  0.910  1.0
  O  O25  1  0.181  0.819  0.910  1.0
  O  O26  1  0.181  0.361  0.910  1.0
  O  O27  1  0.361  0.181  0.090  1.0
  O  O28  1  0.819  0.181  0.090  1.0
  O  O29  1  0.819  0.639  0.090  1.0
[/CIF]
.