The crystal structure described by LiTaNb(AgO3)2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one Ag(2), one O(4), and two equivalent O(2) atoms. Ta(1) is bonded to one O(3), one O(4), and four equivalent O(2) atoms to form distorted TaO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. Nb(1) is bonded to one O(3), one O(4), and four equivalent O(1) atoms to form NbO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 2-coordinate geometry to two equivalent O(1) atoms. In the second Ag site, Ag(2) is bonded in a 6-coordinate geometry to one Li(1), one O(4), and four equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Nb(1), one Ag(1), and two equivalent Ag(2) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one Ta(1) and one Nb(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ta(1), one Nb(1), and one Ag(2) atom. is represented by the CIF card [CIF]
data_LiTaNb(AgO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.100
_cell_length_b   4.100
_cell_length_c   8.120
_cell_angle_alpha   85.670
_cell_angle_beta   94.330
_cell_angle_gamma   92.015
_symmetry_Int_Tables_number   1
_cell_volume   135.648
_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
  Li  Li0  1  0.801  0.199  0.622  1.0
  Ta  Ta1  1  0.427  0.573  0.764  1.0
  Nb  Nb2  1  0.527  0.473  0.256  1.0
  Ag  Ag3  1  0.984  0.016  0.022  1.0
  Ag  Ag4  1  0.074  0.926  0.431  1.0
  O  O5  1  0.538  0.976  0.248  1.0
  O  O6  1  0.456  0.044  0.759  1.0
  O  O7  1  0.492  0.508  0.002  1.0
  O  O8  1  0.488  0.512  0.514  1.0
  O  O9  1  0.024  0.462  0.248  1.0
  O  O10  1  0.956  0.544  0.759  1.0
[/CIF]
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The crystal structure described by LiTaNb(AgO3)2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one Ag(2), one O(4), and two equivalent O(2) atoms. Ta(1) is bonded to one O(3), one O(4), and four equivalent O(2) atoms to form distorted TaO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. Nb(1) is bonded to one O(3), one O(4), and four equivalent O(1) atoms to form NbO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 2-coordinate geometry to two equivalent O(1) atoms. In the second Ag site, Ag(2) is bonded in a 6-coordinate geometry to one Li(1), one O(4), and four equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Nb(1), one Ag(1), and two equivalent Ag(2) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one Ta(1) and one Nb(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ta(1), one Nb(1), and one Ag(2) atom. is represented by the CIF card [CIF]
data_LiTaNb(AgO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.100
_cell_length_b   4.100
_cell_length_c   8.120
_cell_angle_alpha   85.670
_cell_angle_beta   94.330
_cell_angle_gamma   92.015
_symmetry_Int_Tables_number   1
_cell_volume   135.648
_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
  Li  Li0  1  0.801  0.199  0.622  1.0
  Ta  Ta1  1  0.427  0.573  0.764  1.0
  Nb  Nb2  1  0.527  0.473  0.256  1.0
  Ag  Ag3  1  0.984  0.016  0.022  1.0
  Ag  Ag4  1  0.074  0.926  0.431  1.0
  O  O5  1  0.538  0.976  0.248  1.0
  O  O6  1  0.456  0.044  0.759  1.0
  O  O7  1  0.492  0.508  0.002  1.0
  O  O8  1  0.488  0.512  0.514  1.0
  O  O9  1  0.024  0.462  0.248  1.0
  O  O10  1  0.956  0.544  0.759  1.0
[/CIF]
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