The compound described by La2Ti3AgO9 crystallizes in the trigonal P-3m1 space group. La(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with three equivalent Ag(1)O12 cuboctahedra, corners with nine equivalent La(1)O12 cuboctahedra, faces with three equivalent La(1)O12 cuboctahedra, faces with three equivalent Ag(1)O12 cuboctahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with five equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(2)O6 octahedra, faces with two equivalent Ag(1)O12 cuboctahedra, and faces with six equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, faces with three equivalent Ag(1)O12 cuboctahedra, and faces with five equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-6°. Ag(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted AgO12 cuboctahedra that share corners with six equivalent La(1)O12 cuboctahedra, corners with six equivalent Ag(1)O12 cuboctahedra, faces with six equivalent La(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, and faces with six equivalent Ti(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to three equivalent La(1), one Ti(1), one Ti(2), and one Ag(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent Ti(2), and two equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_La2Ti3AgO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.568
_cell_length_b   5.568
_cell_length_c   6.804
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   182.653
_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
  La  La0  1  0.667  0.333  0.327  1.0
  La  La1  1  0.333  0.667  0.673  1.0
  Ti  Ti2  1  0.000  0.000  0.500  1.0
  Ti  Ti3  1  0.667  0.333  0.837  1.0
  Ti  Ti4  1  0.333  0.667  0.163  1.0
  Ag  Ag5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.828  0.172  0.655  1.0
  O  O7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.172  0.828  0.345  1.0
  O  O9  1  0.656  0.828  0.345  1.0
  O  O10  1  0.344  0.172  0.655  1.0
  O  O11  1  0.000  0.500  0.000  1.0
  O  O12  1  0.828  0.656  0.655  1.0
  O  O13  1  0.500  0.000  0.000  1.0
  O  O14  1  0.172  0.344  0.345  1.0
[/CIF]
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The compound described by La2Ti3AgO9 crystallizes in the trigonal P-3m1 space group. La(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with three equivalent Ag(1)O12 cuboctahedra, corners with nine equivalent La(1)O12 cuboctahedra, faces with three equivalent La(1)O12 cuboctahedra, faces with three equivalent Ag(1)O12 cuboctahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with five equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(2)O6 octahedra, faces with two equivalent Ag(1)O12 cuboctahedra, and faces with six equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, faces with three equivalent Ag(1)O12 cuboctahedra, and faces with five equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-6°. Ag(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted AgO12 cuboctahedra that share corners with six equivalent La(1)O12 cuboctahedra, corners with six equivalent Ag(1)O12 cuboctahedra, faces with six equivalent La(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, and faces with six equivalent Ti(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to three equivalent La(1), one Ti(1), one Ti(2), and one Ag(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent Ti(2), and two equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_La2Ti3AgO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.568
_cell_length_b   5.568
_cell_length_c   6.804
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   182.653
_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
  La  La0  1  0.667  0.333  0.327  1.0
  La  La1  1  0.333  0.667  0.673  1.0
  Ti  Ti2  1  0.000  0.000  0.500  1.0
  Ti  Ti3  1  0.667  0.333  0.837  1.0
  Ti  Ti4  1  0.333  0.667  0.163  1.0
  Ag  Ag5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.828  0.172  0.655  1.0
  O  O7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.172  0.828  0.345  1.0
  O  O9  1  0.656  0.828  0.345  1.0
  O  O10  1  0.344  0.172  0.655  1.0
  O  O11  1  0.000  0.500  0.000  1.0
  O  O12  1  0.828  0.656  0.655  1.0
  O  O13  1  0.500  0.000  0.000  1.0
  O  O14  1  0.172  0.344  0.345  1.0
[/CIF]
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