The material described by LaDyO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. Dy(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing DyO6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Dy(1) and two equivalent La(1) atoms to form distorted corner-sharing OLa2Dy2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Dy(1) and three equivalent La(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Dy(1) and three equivalent La(1) atoms. is represented by the CIF card [CIF]
data_LaDyO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.942
_cell_length_b   6.128
_cell_length_c   8.577
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.284
_cell_formula_units_Z   4
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  0.490  0.044  0.487  1.0
  La  La1  1  0.990  0.456  0.987  1.0
  La  La2  1  0.010  0.544  0.487  1.0
  La  La3  1  0.510  0.956  0.987  1.0
  Dy  Dy4  1  0.000  0.005  0.742  1.0
  Dy  Dy5  1  0.500  0.495  0.242  1.0
  Dy  Dy6  1  0.500  0.505  0.742  1.0
  Dy  Dy7  1  1.000  0.995  0.242  1.0
  O  O8  1  0.127  0.064  0.994  1.0
  O  O9  1  0.677  0.173  0.185  1.0
  O  O10  1  0.693  0.202  0.816  1.0
  O  O11  1  0.193  0.298  0.316  1.0
  O  O12  1  0.177  0.327  0.685  1.0
  O  O13  1  0.627  0.436  0.494  1.0
  O  O14  1  0.373  0.564  0.994  1.0
  O  O15  1  0.823  0.673  0.185  1.0
  O  O16  1  0.807  0.702  0.816  1.0
  O  O17  1  0.307  0.798  0.316  1.0
  O  O18  1  0.323  0.827  0.685  1.0
  O  O19  1  0.873  0.936  0.494  1.0
[/CIF]
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The material described by LaDyO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. Dy(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing DyO6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Dy(1) and two equivalent La(1) atoms to form distorted corner-sharing OLa2Dy2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Dy(1) and three equivalent La(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Dy(1) and three equivalent La(1) atoms. is represented by the CIF card [CIF]
data_LaDyO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.942
_cell_length_b   6.128
_cell_length_c   8.577
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.284
_cell_formula_units_Z   4
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  0.490  0.044  0.487  1.0
  La  La1  1  0.990  0.456  0.987  1.0
  La  La2  1  0.010  0.544  0.487  1.0
  La  La3  1  0.510  0.956  0.987  1.0
  Dy  Dy4  1  0.000  0.005  0.742  1.0
  Dy  Dy5  1  0.500  0.495  0.242  1.0
  Dy  Dy6  1  0.500  0.505  0.742  1.0
  Dy  Dy7  1  1.000  0.995  0.242  1.0
  O  O8  1  0.127  0.064  0.994  1.0
  O  O9  1  0.677  0.173  0.185  1.0
  O  O10  1  0.693  0.202  0.816  1.0
  O  O11  1  0.193  0.298  0.316  1.0
  O  O12  1  0.177  0.327  0.685  1.0
  O  O13  1  0.627  0.436  0.494  1.0
  O  O14  1  0.373  0.564  0.994  1.0
  O  O15  1  0.823  0.673  0.185  1.0
  O  O16  1  0.807  0.702  0.816  1.0
  O  O17  1  0.307  0.798  0.316  1.0
  O  O18  1  0.323  0.827  0.685  1.0
  O  O19  1  0.873  0.936  0.494  1.0
[/CIF]
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