The structure described by La2NaTaO6 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-43°. La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-43°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), three equivalent La(1), and one Ta(1) atom. In the second O site, O(2) is bonded to one Na(1), two equivalent La(1), and one Ta(1) atom to form distorted corner-sharing ONaLa2Ta tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), three equivalent La(1), and one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLa2TaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.021
_cell_length_b   5.724
_cell_length_c   9.991
_cell_angle_alpha   56.011
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   285.554
_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
  Na  Na0  1  0.500  0.000  0.500  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  La  La2  1  0.059  0.775  0.743  1.0
  La  La3  1  0.559  0.225  0.757  1.0
  La  La4  1  0.441  0.775  0.243  1.0
  La  La5  1  0.941  0.225  0.257  1.0
  Ta  Ta6  1  0.500  0.500  0.000  1.0
  Ta  Ta7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.725  0.745  0.423  1.0
  O  O9  1  0.225  0.255  0.077  1.0
  O  O10  1  0.275  0.255  0.577  1.0
  O  O11  1  0.775  0.745  0.923  1.0
  O  O12  1  0.060  0.600  0.275  1.0
  O  O13  1  0.560  0.400  0.225  1.0
  O  O14  1  0.940  0.400  0.725  1.0
  O  O15  1  0.440  0.600  0.775  1.0
  O  O16  1  0.325  0.838  0.948  1.0
  O  O17  1  0.825  0.162  0.552  1.0
  O  O18  1  0.675  0.162  0.052  1.0
  O  O19  1  0.175  0.838  0.448  1.0
[/CIF]
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The structure described by La2NaTaO6 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-43°. La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-43°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), three equivalent La(1), and one Ta(1) atom. In the second O site, O(2) is bonded to one Na(1), two equivalent La(1), and one Ta(1) atom to form distorted corner-sharing ONaLa2Ta tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), three equivalent La(1), and one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLa2TaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.021
_cell_length_b   5.724
_cell_length_c   9.991
_cell_angle_alpha   56.011
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   285.554
_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
  Na  Na0  1  0.500  0.000  0.500  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  La  La2  1  0.059  0.775  0.743  1.0
  La  La3  1  0.559  0.225  0.757  1.0
  La  La4  1  0.441  0.775  0.243  1.0
  La  La5  1  0.941  0.225  0.257  1.0
  Ta  Ta6  1  0.500  0.500  0.000  1.0
  Ta  Ta7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.725  0.745  0.423  1.0
  O  O9  1  0.225  0.255  0.077  1.0
  O  O10  1  0.275  0.255  0.577  1.0
  O  O11  1  0.775  0.745  0.923  1.0
  O  O12  1  0.060  0.600  0.275  1.0
  O  O13  1  0.560  0.400  0.225  1.0
  O  O14  1  0.940  0.400  0.725  1.0
  O  O15  1  0.440  0.600  0.775  1.0
  O  O16  1  0.325  0.838  0.948  1.0
  O  O17  1  0.825  0.162  0.552  1.0
  O  O18  1  0.675  0.162  0.052  1.0
  O  O19  1  0.175  0.838  0.448  1.0
[/CIF]
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