The material described by KNaTi4(BiO6)2 crystallizes in the monoclinic Cm space group. K(1) is bonded to one O(1), one O(3), two equivalent O(2), two equivalent O(6), two equivalent O(8), and four equivalent O(7) atoms to form KO12 cuboctahedra that share corners with six equivalent K(1)O12 cuboctahedra,  a faceface with one Ti(3)O6 octahedra,  a faceface with one Ti(4)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent Ti(2)O6 octahedra. Na(1) is bonded in a 12-coordinate geometry to one O(1), one O(3), two equivalent O(4), two equivalent O(6), two equivalent O(8), and four equivalent O(5) atoms. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), two equivalent O(7), and two equivalent O(8) atoms to form TiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and faces with three equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), two equivalent O(6), and two equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, and faces with three equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-16°. In the third Ti site, Ti(3) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, and  a faceface with one K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and  a faceface with one K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-16°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(6) atoms. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Na(1), one Ti(2), and one Ti(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(1), one Ti(1), one Ti(2), and one Bi(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(1), one Na(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Ti(3), one Ti(4), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Ti(3), and one Ti(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one K(1), one Na(1), one Ti(2), one Ti(4), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent K(1), one Ti(1), and one Ti(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one K(1), one Na(1), one Ti(1), one Ti(3), and one Bi(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNaTi4(BiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.672
_cell_length_b   5.672
_cell_length_c   9.661
_cell_angle_alpha   73.459
_cell_angle_beta   73.459
_cell_angle_gamma   58.926
_symmetry_Int_Tables_number   1
_cell_volume   251.531
_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  0.865  0.865  0.378  1.0
  Na  Na1  1  0.361  0.361  0.880  1.0
  Ti  Ti2  1  0.494  0.494  0.502  1.0
  Ti  Ti3  1  0.228  0.228  0.256  1.0
  Ti  Ti4  1  0.728  0.728  0.758  1.0
  Ti  Ti5  1  0.996  0.996  0.001  1.0
  Bi  Bi6  1  0.568  0.568  0.142  1.0
  Bi  Bi7  1  0.067  0.067  0.646  1.0
  O  O8  1  0.134  0.134  0.121  1.0
  O  O9  1  0.395  0.395  0.362  1.0
  O  O10  1  0.630  0.630  0.625  1.0
  O  O11  1  0.895  0.895  0.863  1.0
  O  O12  1  0.885  0.383  0.873  1.0
  O  O13  1  0.155  0.634  0.119  1.0
  O  O14  1  0.381  0.882  0.373  1.0
  O  O15  1  0.652  0.137  0.623  1.0
  O  O16  1  0.383  0.885  0.873  1.0
  O  O17  1  0.634  0.155  0.119  1.0
  O  O18  1  0.882  0.381  0.373  1.0
  O  O19  1  0.137  0.652  0.623  1.0
[/CIF]
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The material described by KNaTi4(BiO6)2 crystallizes in the monoclinic Cm space group. K(1) is bonded to one O(1), one O(3), two equivalent O(2), two equivalent O(6), two equivalent O(8), and four equivalent O(7) atoms to form KO12 cuboctahedra that share corners with six equivalent K(1)O12 cuboctahedra,  a faceface with one Ti(3)O6 octahedra,  a faceface with one Ti(4)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent Ti(2)O6 octahedra. Na(1) is bonded in a 12-coordinate geometry to one O(1), one O(3), two equivalent O(4), two equivalent O(6), two equivalent O(8), and four equivalent O(5) atoms. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), two equivalent O(7), and two equivalent O(8) atoms to form TiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and faces with three equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), two equivalent O(6), and two equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, and faces with three equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-16°. In the third Ti site, Ti(3) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, and  a faceface with one K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and  a faceface with one K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-16°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(6) atoms. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Na(1), one Ti(2), and one Ti(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(1), one Ti(1), one Ti(2), and one Bi(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(1), one Na(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Ti(3), one Ti(4), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Ti(3), and one Ti(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one K(1), one Na(1), one Ti(2), one Ti(4), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent K(1), one Ti(1), and one Ti(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one K(1), one Na(1), one Ti(1), one Ti(3), and one Bi(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNaTi4(BiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.672
_cell_length_b   5.672
_cell_length_c   9.661
_cell_angle_alpha   73.459
_cell_angle_beta   73.459
_cell_angle_gamma   58.926
_symmetry_Int_Tables_number   1
_cell_volume   251.531
_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  0.865  0.865  0.378  1.0
  Na  Na1  1  0.361  0.361  0.880  1.0
  Ti  Ti2  1  0.494  0.494  0.502  1.0
  Ti  Ti3  1  0.228  0.228  0.256  1.0
  Ti  Ti4  1  0.728  0.728  0.758  1.0
  Ti  Ti5  1  0.996  0.996  0.001  1.0
  Bi  Bi6  1  0.568  0.568  0.142  1.0
  Bi  Bi7  1  0.067  0.067  0.646  1.0
  O  O8  1  0.134  0.134  0.121  1.0
  O  O9  1  0.395  0.395  0.362  1.0
  O  O10  1  0.630  0.630  0.625  1.0
  O  O11  1  0.895  0.895  0.863  1.0
  O  O12  1  0.885  0.383  0.873  1.0
  O  O13  1  0.155  0.634  0.119  1.0
  O  O14  1  0.381  0.882  0.373  1.0
  O  O15  1  0.652  0.137  0.623  1.0
  O  O16  1  0.383  0.885  0.873  1.0
  O  O17  1  0.634  0.155  0.119  1.0
  O  O18  1  0.882  0.381  0.373  1.0
  O  O19  1  0.137  0.652  0.623  1.0
[/CIF]
.