The structure described by La2Ti2ZnO8 crystallizes in the tetragonal P-4m2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), and five equivalent O(4) atoms. In the second La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), and five equivalent O(4) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Zn(1) is bonded to four equivalent O(3) atoms to form distorted corner-sharing ZnO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OLa2Ti2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent La(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OLa2Ti2 trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ti(1) and two equivalent Zn(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to five La(1,1) and one Ti(1) atom. is represented by the CIF file [CIF]
data_La2Ti2ZnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.723
_cell_length_b   3.723
_cell_length_c   12.786
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   177.257
_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  0.000  0.500  0.386  1.0
  La  La1  1  0.500  0.000  0.614  1.0
  Ti  Ti2  1  0.000  0.500  0.790  1.0
  Ti  Ti3  1  0.500  0.000  0.210  1.0
  Zn  Zn4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.500  0.500  0.250  1.0
  O  O6  1  0.000  0.000  0.746  1.0
  O  O7  1  0.500  0.500  0.750  1.0
  O  O8  1  0.000  0.000  0.254  1.0
  O  O9  1  0.000  0.500  0.932  1.0
  O  O10  1  0.500  0.000  0.068  1.0
  O  O11  1  0.000  0.500  0.573  1.0
  O  O12  1  0.500  0.000  0.427  1.0
[/CIF]
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The structure described by La2Ti2ZnO8 crystallizes in the tetragonal P-4m2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), and five equivalent O(4) atoms. In the second La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), and five equivalent O(4) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Zn(1) is bonded to four equivalent O(3) atoms to form distorted corner-sharing ZnO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OLa2Ti2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent La(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OLa2Ti2 trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ti(1) and two equivalent Zn(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to five La(1,1) and one Ti(1) atom. is represented by the CIF file [CIF]
data_La2Ti2ZnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.723
_cell_length_b   3.723
_cell_length_c   12.786
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   177.257
_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  0.000  0.500  0.386  1.0
  La  La1  1  0.500  0.000  0.614  1.0
  Ti  Ti2  1  0.000  0.500  0.790  1.0
  Ti  Ti3  1  0.500  0.000  0.210  1.0
  Zn  Zn4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.500  0.500  0.250  1.0
  O  O6  1  0.000  0.000  0.746  1.0
  O  O7  1  0.500  0.500  0.750  1.0
  O  O8  1  0.000  0.000  0.254  1.0
  O  O9  1  0.000  0.500  0.932  1.0
  O  O10  1  0.500  0.000  0.068  1.0
  O  O11  1  0.000  0.500  0.573  1.0
  O  O12  1  0.500  0.000  0.427  1.0
[/CIF]
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