The structure described by La2ZnTiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-30°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-30°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ti(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ti(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(1), one Ti(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2TiZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.707
_cell_length_b   5.602
_cell_length_c   9.727
_cell_angle_alpha   54.893
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.374
_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  0.955  0.741  0.249  1.0
  La  La1  1  0.455  0.259  0.251  1.0
  La  La2  1  0.045  0.259  0.751  1.0
  La  La3  1  0.545  0.741  0.749  1.0
  Ti  Ti4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.000  0.500  0.000  1.0
  Zn  Zn6  1  0.500  0.000  0.000  1.0
  Zn  Zn7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.717  0.647  0.050  1.0
  O  O9  1  0.198  0.736  0.046  1.0
  O  O10  1  0.474  0.170  0.740  1.0
  O  O11  1  0.974  0.830  0.760  1.0
  O  O12  1  0.698  0.264  0.454  1.0
  O  O13  1  0.217  0.353  0.450  1.0
  O  O14  1  0.783  0.647  0.550  1.0
  O  O15  1  0.302  0.736  0.546  1.0
  O  O16  1  0.283  0.353  0.950  1.0
  O  O17  1  0.526  0.830  0.260  1.0
  O  O18  1  0.802  0.264  0.954  1.0
  O  O19  1  0.026  0.170  0.240  1.0
[/CIF]
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The structure described by La2ZnTiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-30°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-30°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ti(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ti(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(1), one Ti(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2TiZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.707
_cell_length_b   5.602
_cell_length_c   9.727
_cell_angle_alpha   54.893
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.374
_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  0.955  0.741  0.249  1.0
  La  La1  1  0.455  0.259  0.251  1.0
  La  La2  1  0.045  0.259  0.751  1.0
  La  La3  1  0.545  0.741  0.749  1.0
  Ti  Ti4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.000  0.500  0.000  1.0
  Zn  Zn6  1  0.500  0.000  0.000  1.0
  Zn  Zn7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.717  0.647  0.050  1.0
  O  O9  1  0.198  0.736  0.046  1.0
  O  O10  1  0.474  0.170  0.740  1.0
  O  O11  1  0.974  0.830  0.760  1.0
  O  O12  1  0.698  0.264  0.454  1.0
  O  O13  1  0.217  0.353  0.450  1.0
  O  O14  1  0.783  0.647  0.550  1.0
  O  O15  1  0.302  0.736  0.546  1.0
  O  O16  1  0.283  0.353  0.950  1.0
  O  O17  1  0.526  0.830  0.260  1.0
  O  O18  1  0.802  0.264  0.954  1.0
  O  O19  1  0.026  0.170  0.240  1.0
[/CIF]
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