The material described by KNa(BiO3)4 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Bi(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 20-36°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one K(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1), one Na(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Na(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_KNa(BiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.861
_cell_length_b   5.861
_cell_length_c   8.430
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.180
_symmetry_Int_Tables_number   1
_cell_volume   289.580
_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  0.016  0.016  0.000  1.0
  Na  Na1  1  0.482  0.482  0.500  1.0
  Bi  Bi2  1  0.499  0.996  0.747  1.0
  Bi  Bi3  1  0.499  0.996  0.253  1.0
  Bi  Bi4  1  0.996  0.499  0.253  1.0
  Bi  Bi5  1  0.996  0.499  0.747  1.0
  O  O6  1  0.806  0.190  0.744  1.0
  O  O7  1  0.190  0.806  0.744  1.0
  O  O8  1  0.190  0.806  0.256  1.0
  O  O9  1  0.806  0.190  0.256  1.0
  O  O10  1  0.691  0.691  0.693  1.0
  O  O11  1  0.303  0.303  0.791  1.0
  O  O12  1  0.303  0.303  0.209  1.0
  O  O13  1  0.691  0.691  0.307  1.0
  O  O14  1  0.542  0.945  0.000  1.0
  O  O15  1  0.467  0.080  0.500  1.0
  O  O16  1  0.945  0.542  0.000  1.0
  O  O17  1  0.080  0.467  0.500  1.0
[/CIF]
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The material described by KNa(BiO3)4 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Bi(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 20-36°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one K(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1), one Na(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Na(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_KNa(BiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.861
_cell_length_b   5.861
_cell_length_c   8.430
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.180
_symmetry_Int_Tables_number   1
_cell_volume   289.580
_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  0.016  0.016  0.000  1.0
  Na  Na1  1  0.482  0.482  0.500  1.0
  Bi  Bi2  1  0.499  0.996  0.747  1.0
  Bi  Bi3  1  0.499  0.996  0.253  1.0
  Bi  Bi4  1  0.996  0.499  0.253  1.0
  Bi  Bi5  1  0.996  0.499  0.747  1.0
  O  O6  1  0.806  0.190  0.744  1.0
  O  O7  1  0.190  0.806  0.744  1.0
  O  O8  1  0.190  0.806  0.256  1.0
  O  O9  1  0.806  0.190  0.256  1.0
  O  O10  1  0.691  0.691  0.693  1.0
  O  O11  1  0.303  0.303  0.791  1.0
  O  O12  1  0.303  0.303  0.209  1.0
  O  O13  1  0.691  0.691  0.307  1.0
  O  O14  1  0.542  0.945  0.000  1.0
  O  O15  1  0.467  0.080  0.500  1.0
  O  O16  1  0.945  0.542  0.000  1.0
  O  O17  1  0.080  0.467  0.500  1.0
[/CIF]
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