The compound described by AgLaTiO4 crystallizes in the tetragonal P4/nmm space group. La(1) is bonded in a 9-coordinate geometry to four equivalent O(3) and five equivalent O(2) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. Ag(1) is bonded to five equivalent O(1) atoms to form a mixture of edge and corner-sharing AgO5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1) and five equivalent Ag(1) atoms to form distorted OTiAg5 octahedra that share corners with four equivalent O(1)TiAg5 octahedra, corners with four equivalent O(3)La2Ti2 trigonal pyramids, and edges with eight equivalent O(1)TiAg5 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second O site, O(2) is bonded in a 6-coordinate geometry to five equivalent La(1) and one Ti(1) atom. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Ti(1) atoms to form distorted OLa2Ti2 trigonal pyramids that share corners with two equivalent O(1)TiAg5 octahedra, corners with four equivalent O(3)La2Ti2 trigonal pyramids, and edges with four equivalent O(3)La2Ti2 trigonal pyramids. The corner-sharing octahedral tilt angles are 74°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaTiAgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.749
_cell_length_b   3.749
_cell_length_c   13.602
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.134
_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
  La  La0  1  0.000  0.500  0.107  1.0
  La  La1  1  0.500  0.000  0.893  1.0
  Ti  Ti2  1  0.000  0.500  0.728  1.0
  Ti  Ti3  1  0.500  0.000  0.272  1.0
  Ag  Ag4  1  0.000  0.500  0.422  1.0
  Ag  Ag5  1  0.500  0.000  0.578  1.0
  O  O6  1  0.000  0.500  0.596  1.0
  O  O7  1  0.500  0.000  0.404  1.0
  O  O8  1  0.000  0.500  0.932  1.0
  O  O9  1  0.500  0.000  0.068  1.0
  O  O10  1  0.500  0.500  0.767  1.0
  O  O11  1  0.000  0.000  0.767  1.0
  O  O12  1  0.500  0.500  0.233  1.0
  O  O13  1  0.000  0.000  0.233  1.0
[/CIF]
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The compound described by AgLaTiO4 crystallizes in the tetragonal P4/nmm space group. La(1) is bonded in a 9-coordinate geometry to four equivalent O(3) and five equivalent O(2) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. Ag(1) is bonded to five equivalent O(1) atoms to form a mixture of edge and corner-sharing AgO5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1) and five equivalent Ag(1) atoms to form distorted OTiAg5 octahedra that share corners with four equivalent O(1)TiAg5 octahedra, corners with four equivalent O(3)La2Ti2 trigonal pyramids, and edges with eight equivalent O(1)TiAg5 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second O site, O(2) is bonded in a 6-coordinate geometry to five equivalent La(1) and one Ti(1) atom. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Ti(1) atoms to form distorted OLa2Ti2 trigonal pyramids that share corners with two equivalent O(1)TiAg5 octahedra, corners with four equivalent O(3)La2Ti2 trigonal pyramids, and edges with four equivalent O(3)La2Ti2 trigonal pyramids. The corner-sharing octahedral tilt angles are 74°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaTiAgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.749
_cell_length_b   3.749
_cell_length_c   13.602
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.134
_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
  La  La0  1  0.000  0.500  0.107  1.0
  La  La1  1  0.500  0.000  0.893  1.0
  Ti  Ti2  1  0.000  0.500  0.728  1.0
  Ti  Ti3  1  0.500  0.000  0.272  1.0
  Ag  Ag4  1  0.000  0.500  0.422  1.0
  Ag  Ag5  1  0.500  0.000  0.578  1.0
  O  O6  1  0.000  0.500  0.596  1.0
  O  O7  1  0.500  0.000  0.404  1.0
  O  O8  1  0.000  0.500  0.932  1.0
  O  O9  1  0.500  0.000  0.068  1.0
  O  O10  1  0.500  0.500  0.767  1.0
  O  O11  1  0.000  0.000  0.767  1.0
  O  O12  1  0.500  0.500  0.233  1.0
  O  O13  1  0.000  0.000  0.233  1.0
[/CIF]
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