The crystal structure described by LuDyO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Lu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. Dy(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Dy(1) atoms to form distorted corner-sharing ODy2Lu2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Lu(1) and three equivalent Dy(1) atoms. is represented by the CIF file [CIF]
data_DyLuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.613
_cell_length_b   5.876
_cell_length_c   8.234
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   271.548
_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
  Dy  Dy0  1  0.987  0.053  0.250  1.0
  Dy  Dy1  1  0.487  0.447  0.750  1.0
  Dy  Dy2  1  0.513  0.553  0.250  1.0
  Dy  Dy3  1  0.013  0.947  0.750  1.0
  Lu  Lu4  1  0.500  0.000  0.000  1.0
  Lu  Lu5  1  0.500  0.000  0.500  1.0
  Lu  Lu6  1  0.000  0.500  0.000  1.0
  Lu  Lu7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.639  0.071  0.750  1.0
  O  O9  1  0.180  0.184  0.572  1.0
  O  O10  1  0.180  0.184  0.928  1.0
  O  O11  1  0.680  0.316  0.428  1.0
  O  O12  1  0.680  0.316  0.072  1.0
  O  O13  1  0.139  0.429  0.250  1.0
  O  O14  1  0.861  0.571  0.750  1.0
  O  O15  1  0.320  0.684  0.572  1.0
  O  O16  1  0.320  0.684  0.928  1.0
  O  O17  1  0.820  0.816  0.072  1.0
  O  O18  1  0.820  0.816  0.428  1.0
  O  O19  1  0.361  0.929  0.250  1.0
[/CIF]
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The crystal structure described by LuDyO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Lu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. Dy(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Dy(1) atoms to form distorted corner-sharing ODy2Lu2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Lu(1) and three equivalent Dy(1) atoms. is represented by the CIF file [CIF]
data_DyLuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.613
_cell_length_b   5.876
_cell_length_c   8.234
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   271.548
_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
  Dy  Dy0  1  0.987  0.053  0.250  1.0
  Dy  Dy1  1  0.487  0.447  0.750  1.0
  Dy  Dy2  1  0.513  0.553  0.250  1.0
  Dy  Dy3  1  0.013  0.947  0.750  1.0
  Lu  Lu4  1  0.500  0.000  0.000  1.0
  Lu  Lu5  1  0.500  0.000  0.500  1.0
  Lu  Lu6  1  0.000  0.500  0.000  1.0
  Lu  Lu7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.639  0.071  0.750  1.0
  O  O9  1  0.180  0.184  0.572  1.0
  O  O10  1  0.180  0.184  0.928  1.0
  O  O11  1  0.680  0.316  0.428  1.0
  O  O12  1  0.680  0.316  0.072  1.0
  O  O13  1  0.139  0.429  0.250  1.0
  O  O14  1  0.861  0.571  0.750  1.0
  O  O15  1  0.320  0.684  0.572  1.0
  O  O16  1  0.320  0.684  0.928  1.0
  O  O17  1  0.820  0.816  0.072  1.0
  O  O18  1  0.820  0.816  0.428  1.0
  O  O19  1  0.361  0.929  0.250  1.0
[/CIF]
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