The crystal structure described by LaKNaTaO5 crystallizes in the tetragonal P4/nmm space group. K(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Na(1) is bonded to one O(1) and four equivalent O(2) atoms to form distorted NaO5 trigonal bipyramids that share corners with five equivalent Ta(1)O5 trigonal bipyramids. La(1) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Ta(1) is bonded to one O(1) and four equivalent O(2) atoms to form distorted TaO5 trigonal bipyramids that share corners with five equivalent Na(1)O5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent K(1), one Na(1), and one Ta(1) atom to form a mixture of distorted corner and edge-sharing OK4NaTa octahedra. The corner-sharing octahedral tilt angles are 10°. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), two equivalent La(1), and one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNaLaTaO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.849
_cell_length_b   5.849
_cell_length_c   8.360
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   286.024
_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  0.500  0.500  0.000  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  Na  Na2  1  0.500  0.000  0.241  1.0
  Na  Na3  1  0.000  0.500  0.759  1.0
  La  La4  1  0.500  0.500  0.500  1.0
  La  La5  1  0.000  0.000  0.500  1.0
  Ta  Ta6  1  0.000  0.500  0.254  1.0
  Ta  Ta7  1  0.500  0.000  0.746  1.0
  O  O8  1  0.000  0.500  0.032  1.0
  O  O9  1  0.772  0.272  0.325  1.0
  O  O10  1  0.228  0.272  0.325  1.0
  O  O11  1  0.772  0.728  0.325  1.0
  O  O12  1  0.228  0.728  0.325  1.0
  O  O13  1  0.272  0.772  0.675  1.0
  O  O14  1  0.728  0.772  0.675  1.0
  O  O15  1  0.272  0.228  0.675  1.0
  O  O16  1  0.728  0.228  0.675  1.0
  O  O17  1  0.500  0.000  0.968  1.0
[/CIF]
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The crystal structure described by LaKNaTaO5 crystallizes in the tetragonal P4/nmm space group. K(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Na(1) is bonded to one O(1) and four equivalent O(2) atoms to form distorted NaO5 trigonal bipyramids that share corners with five equivalent Ta(1)O5 trigonal bipyramids. La(1) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Ta(1) is bonded to one O(1) and four equivalent O(2) atoms to form distorted TaO5 trigonal bipyramids that share corners with five equivalent Na(1)O5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent K(1), one Na(1), and one Ta(1) atom to form a mixture of distorted corner and edge-sharing OK4NaTa octahedra. The corner-sharing octahedral tilt angles are 10°. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), two equivalent La(1), and one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNaLaTaO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.849
_cell_length_b   5.849
_cell_length_c   8.360
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   286.024
_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  0.500  0.500  0.000  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  Na  Na2  1  0.500  0.000  0.241  1.0
  Na  Na3  1  0.000  0.500  0.759  1.0
  La  La4  1  0.500  0.500  0.500  1.0
  La  La5  1  0.000  0.000  0.500  1.0
  Ta  Ta6  1  0.000  0.500  0.254  1.0
  Ta  Ta7  1  0.500  0.000  0.746  1.0
  O  O8  1  0.000  0.500  0.032  1.0
  O  O9  1  0.772  0.272  0.325  1.0
  O  O10  1  0.228  0.272  0.325  1.0
  O  O11  1  0.772  0.728  0.325  1.0
  O  O12  1  0.228  0.728  0.325  1.0
  O  O13  1  0.272  0.772  0.675  1.0
  O  O14  1  0.728  0.772  0.675  1.0
  O  O15  1  0.272  0.228  0.675  1.0
  O  O16  1  0.728  0.228  0.675  1.0
  O  O17  1  0.500  0.000  0.968  1.0
[/CIF]
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