The compound described by NaLaTa2O7 crystallizes in the tetragonal I-4m2 space group. Na(1) is bonded to four equivalent O(1) atoms to form corner-sharing NaO4 tetrahedra. La(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form a mixture of face and corner-sharing LaO12 cuboctahedra. Ta(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Na(1) and one Ta(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded to four equivalent La(1) and two equivalent Ta(1) atoms to form a mixture of corner and edge-sharing OLa4Ta2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_NaLaTa2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.210
_cell_length_b   11.210
_cell_length_c   11.210
_cell_angle_alpha   159.832
_cell_angle_beta   159.832
_cell_angle_gamma   28.673
_symmetry_Int_Tables_number   1
_cell_volume   167.364
_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
  Na  Na0  1  0.250  0.750  0.500  1.0
  La  La1  1  0.000  0.000  0.000  1.0
  Ta  Ta2  1  0.604  0.604  0.000  1.0
  Ta  Ta3  1  0.396  0.396  0.000  1.0
  O  O4  1  0.687  0.687  0.000  1.0
  O  O5  1  0.313  0.313  0.000  1.0
  O  O6  1  0.415  0.915  0.500  1.0
  O  O7  1  0.915  0.415  0.500  1.0
  O  O8  1  0.585  0.085  0.500  1.0
  O  O9  1  0.085  0.585  0.500  1.0
  O  O10  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by NaLaTa2O7 crystallizes in the tetragonal I-4m2 space group. Na(1) is bonded to four equivalent O(1) atoms to form corner-sharing NaO4 tetrahedra. La(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form a mixture of face and corner-sharing LaO12 cuboctahedra. Ta(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Na(1) and one Ta(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded to four equivalent La(1) and two equivalent Ta(1) atoms to form a mixture of corner and edge-sharing OLa4Ta2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_NaLaTa2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.210
_cell_length_b   11.210
_cell_length_c   11.210
_cell_angle_alpha   159.832
_cell_angle_beta   159.832
_cell_angle_gamma   28.673
_symmetry_Int_Tables_number   1
_cell_volume   167.364
_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
  Na  Na0  1  0.250  0.750  0.500  1.0
  La  La1  1  0.000  0.000  0.000  1.0
  Ta  Ta2  1  0.604  0.604  0.000  1.0
  Ta  Ta3  1  0.396  0.396  0.000  1.0
  O  O4  1  0.687  0.687  0.000  1.0
  O  O5  1  0.313  0.313  0.000  1.0
  O  O6  1  0.415  0.915  0.500  1.0
  O  O7  1  0.915  0.415  0.500  1.0
  O  O8  1  0.585  0.085  0.500  1.0
  O  O9  1  0.085  0.585  0.500  1.0
  O  O10  1  0.500  0.500  0.000  1.0
[/CIF]
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