The crystal structure described by KNaTi4(BiO6)2 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(4), and four equivalent O(5) atoms to form distorted corner-sharing KO12 cuboctahedra. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(5) atoms. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one Na(1), two equivalent Ti(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), two equivalent Ti(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Ti(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent Ti(1), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one Na(1), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_KNaTi4(BiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.766
_cell_length_b   5.766
_cell_length_c   7.774
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.158
_symmetry_Int_Tables_number   1
_cell_volume   257.419
_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  0.985  0.015  0.500  1.0
  Na  Na1  1  0.467  0.533  0.000  1.0
  Ti  Ti2  1  0.978  0.522  0.753  1.0
  Ti  Ti3  1  0.478  0.022  0.753  1.0
  Ti  Ti4  1  0.978  0.522  0.247  1.0
  Ti  Ti5  1  0.478  0.022  0.247  1.0
  Bi  Bi6  1  0.931  0.069  0.000  1.0
  Bi  Bi7  1  0.428  0.572  0.500  1.0
  O  O8  1  0.276  0.724  0.743  1.0
  O  O9  1  0.772  0.228  0.763  1.0
  O  O10  1  0.276  0.724  0.257  1.0
  O  O11  1  0.772  0.228  0.237  1.0
  O  O12  1  0.022  0.467  0.000  1.0
  O  O13  1  0.533  0.978  0.000  1.0
  O  O14  1  0.033  0.490  0.500  1.0
  O  O15  1  0.510  0.967  0.500  1.0
  O  O16  1  0.771  0.727  0.755  1.0
  O  O17  1  0.273  0.229  0.755  1.0
  O  O18  1  0.771  0.727  0.245  1.0
  O  O19  1  0.273  0.229  0.245  1.0
[/CIF]
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The crystal structure described by KNaTi4(BiO6)2 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(4), and four equivalent O(5) atoms to form distorted corner-sharing KO12 cuboctahedra. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(5) atoms. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one Na(1), two equivalent Ti(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), two equivalent Ti(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Ti(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent Ti(1), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one Na(1), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_KNaTi4(BiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.766
_cell_length_b   5.766
_cell_length_c   7.774
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.158
_symmetry_Int_Tables_number   1
_cell_volume   257.419
_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  0.985  0.015  0.500  1.0
  Na  Na1  1  0.467  0.533  0.000  1.0
  Ti  Ti2  1  0.978  0.522  0.753  1.0
  Ti  Ti3  1  0.478  0.022  0.753  1.0
  Ti  Ti4  1  0.978  0.522  0.247  1.0
  Ti  Ti5  1  0.478  0.022  0.247  1.0
  Bi  Bi6  1  0.931  0.069  0.000  1.0
  Bi  Bi7  1  0.428  0.572  0.500  1.0
  O  O8  1  0.276  0.724  0.743  1.0
  O  O9  1  0.772  0.228  0.763  1.0
  O  O10  1  0.276  0.724  0.257  1.0
  O  O11  1  0.772  0.228  0.237  1.0
  O  O12  1  0.022  0.467  0.000  1.0
  O  O13  1  0.533  0.978  0.000  1.0
  O  O14  1  0.033  0.490  0.500  1.0
  O  O15  1  0.510  0.967  0.500  1.0
  O  O16  1  0.771  0.727  0.755  1.0
  O  O17  1  0.273  0.229  0.755  1.0
  O  O18  1  0.771  0.727  0.245  1.0
  O  O19  1  0.273  0.229  0.245  1.0
[/CIF]
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