The material described by KNa2GaO3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Na(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Ga(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing GaO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to two equivalent K(1), four equivalent Na(1), and one Ga(1) atom. In the second O site, O(2) is bonded to two equivalent K(1), two equivalent Na(1), and two equivalent Ga(1) atoms to form distorted edge-sharing OK2Na2Ga2 octahedra. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(1), four equivalent Na(1), and one Ga(1) atom. is represented by the CIF card [CIF]
data_KNa2GaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.142
_cell_length_b   6.484
_cell_length_c   10.127
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   403.298
_cell_formula_units_Z   4
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  0.750  0.659  0.967  1.0
  K  K1  1  0.250  0.841  0.467  1.0
  K  K2  1  0.250  0.341  0.033  1.0
  K  K3  1  0.750  0.159  0.533  1.0
  Na  Na4  1  0.009  0.991  0.769  1.0
  Na  Na5  1  0.991  0.509  0.269  1.0
  Na  Na6  1  0.009  0.491  0.731  1.0
  Na  Na7  1  0.491  0.991  0.769  1.0
  Na  Na8  1  0.991  0.009  0.231  1.0
  Na  Na9  1  0.509  0.009  0.231  1.0
  Na  Na10  1  0.509  0.509  0.269  1.0
  Na  Na11  1  0.491  0.491  0.731  1.0
  Ga  Ga12  1  0.250  0.830  0.010  1.0
  Ga  Ga13  1  0.250  0.330  0.490  1.0
  Ga  Ga14  1  0.750  0.670  0.510  1.0
  Ga  Ga15  1  0.750  0.170  0.990  1.0
  O  O16  1  0.250  0.718  0.176  1.0
  O  O17  1  0.000  0.500  0.500  1.0
  O  O18  1  0.500  0.500  0.500  1.0
  O  O19  1  0.250  0.172  0.639  1.0
  O  O20  1  0.750  0.828  0.361  1.0
  O  O21  1  0.250  0.672  0.861  1.0
  O  O22  1  0.750  0.328  0.139  1.0
  O  O23  1  0.750  0.782  0.676  1.0
  O  O24  1  0.500  0.000  0.000  1.0
  O  O25  1  0.000  0.000  0.000  1.0
  O  O26  1  0.750  0.282  0.824  1.0
  O  O27  1  0.250  0.218  0.324  1.0
[/CIF]
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The material described by KNa2GaO3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Na(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Ga(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing GaO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to two equivalent K(1), four equivalent Na(1), and one Ga(1) atom. In the second O site, O(2) is bonded to two equivalent K(1), two equivalent Na(1), and two equivalent Ga(1) atoms to form distorted edge-sharing OK2Na2Ga2 octahedra. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(1), four equivalent Na(1), and one Ga(1) atom. is represented by the CIF card [CIF]
data_KNa2GaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.142
_cell_length_b   6.484
_cell_length_c   10.127
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   403.298
_cell_formula_units_Z   4
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  0.750  0.659  0.967  1.0
  K  K1  1  0.250  0.841  0.467  1.0
  K  K2  1  0.250  0.341  0.033  1.0
  K  K3  1  0.750  0.159  0.533  1.0
  Na  Na4  1  0.009  0.991  0.769  1.0
  Na  Na5  1  0.991  0.509  0.269  1.0
  Na  Na6  1  0.009  0.491  0.731  1.0
  Na  Na7  1  0.491  0.991  0.769  1.0
  Na  Na8  1  0.991  0.009  0.231  1.0
  Na  Na9  1  0.509  0.009  0.231  1.0
  Na  Na10  1  0.509  0.509  0.269  1.0
  Na  Na11  1  0.491  0.491  0.731  1.0
  Ga  Ga12  1  0.250  0.830  0.010  1.0
  Ga  Ga13  1  0.250  0.330  0.490  1.0
  Ga  Ga14  1  0.750  0.670  0.510  1.0
  Ga  Ga15  1  0.750  0.170  0.990  1.0
  O  O16  1  0.250  0.718  0.176  1.0
  O  O17  1  0.000  0.500  0.500  1.0
  O  O18  1  0.500  0.500  0.500  1.0
  O  O19  1  0.250  0.172  0.639  1.0
  O  O20  1  0.750  0.828  0.361  1.0
  O  O21  1  0.250  0.672  0.861  1.0
  O  O22  1  0.750  0.328  0.139  1.0
  O  O23  1  0.750  0.782  0.676  1.0
  O  O24  1  0.500  0.000  0.000  1.0
  O  O25  1  0.000  0.000  0.000  1.0
  O  O26  1  0.750  0.282  0.824  1.0
  O  O27  1  0.250  0.218  0.324  1.0
[/CIF]
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