The crystal structure described by TmDyO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Tm(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing TmO6 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. 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 Tm(1) and two equivalent Dy(1) atoms to form distorted corner-sharing ODy2Tm2 trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Tm(1) and three equivalent Dy(1) atoms. is represented by the CIF file [CIF]
data_DyTmO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.638
_cell_length_b   5.907
_cell_length_c   8.329
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.397
_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  0.984  0.054  0.250  1.0
  Dy  Dy1  1  0.484  0.446  0.750  1.0
  Dy  Dy2  1  0.516  0.554  0.250  1.0
  Dy  Dy3  1  0.016  0.946  0.750  1.0
  Tm  Tm4  1  0.500  0.000  0.000  1.0
  Tm  Tm5  1  0.500  0.000  0.500  1.0
  Tm  Tm6  1  0.000  0.500  0.000  1.0
  Tm  Tm7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.646  0.076  0.750  1.0
  O  O9  1  0.181  0.185  0.576  1.0
  O  O10  1  0.181  0.185  0.924  1.0
  O  O11  1  0.681  0.315  0.076  1.0
  O  O12  1  0.681  0.315  0.424  1.0
  O  O13  1  0.146  0.424  0.250  1.0
  O  O14  1  0.854  0.576  0.750  1.0
  O  O15  1  0.319  0.685  0.924  1.0
  O  O16  1  0.319  0.685  0.576  1.0
  O  O17  1  0.819  0.815  0.076  1.0
  O  O18  1  0.819  0.815  0.424  1.0
  O  O19  1  0.354  0.924  0.250  1.0
[/CIF]
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The crystal structure described by TmDyO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Tm(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing TmO6 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. 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 Tm(1) and two equivalent Dy(1) atoms to form distorted corner-sharing ODy2Tm2 trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Tm(1) and three equivalent Dy(1) atoms. is represented by the CIF file [CIF]
data_DyTmO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.638
_cell_length_b   5.907
_cell_length_c   8.329
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.397
_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  0.984  0.054  0.250  1.0
  Dy  Dy1  1  0.484  0.446  0.750  1.0
  Dy  Dy2  1  0.516  0.554  0.250  1.0
  Dy  Dy3  1  0.016  0.946  0.750  1.0
  Tm  Tm4  1  0.500  0.000  0.000  1.0
  Tm  Tm5  1  0.500  0.000  0.500  1.0
  Tm  Tm6  1  0.000  0.500  0.000  1.0
  Tm  Tm7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.646  0.076  0.750  1.0
  O  O9  1  0.181  0.185  0.576  1.0
  O  O10  1  0.181  0.185  0.924  1.0
  O  O11  1  0.681  0.315  0.076  1.0
  O  O12  1  0.681  0.315  0.424  1.0
  O  O13  1  0.146  0.424  0.250  1.0
  O  O14  1  0.854  0.576  0.750  1.0
  O  O15  1  0.319  0.685  0.924  1.0
  O  O16  1  0.319  0.685  0.576  1.0
  O  O17  1  0.819  0.815  0.076  1.0
  O  O18  1  0.819  0.815  0.424  1.0
  O  O19  1  0.354  0.924  0.250  1.0
[/CIF]
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