The material structure described by PrYbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing YbO6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. Pr(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Yb(1) and two equivalent Pr(1) atoms. In the second O site, O(2) is bonded to two equivalent Yb(1) and two equivalent Pr(1) atoms to form corner-sharing OYb2Pr2 trigonal pyramids. is represented by the CIF card [CIF]
data_YbPrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.817
_cell_length_b   6.100
_cell_length_c   8.552
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.466
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Yb  Yb1  1  0.500  0.500  0.000  1.0
  Yb  Yb2  1  0.000  0.000  0.500  1.0
  Yb  Yb3  1  0.500  0.500  0.500  1.0
  Pr  Pr4  1  0.027  0.434  0.250  1.0
  Pr  Pr5  1  0.973  0.566  0.750  1.0
  Pr  Pr6  1  0.527  0.066  0.750  1.0
  Pr  Pr7  1  0.473  0.934  0.250  1.0
  O  O8  1  0.305  0.195  0.077  1.0
  O  O9  1  0.695  0.805  0.923  1.0
  O  O10  1  0.805  0.305  0.923  1.0
  O  O11  1  0.695  0.805  0.577  1.0
  O  O12  1  0.195  0.695  0.077  1.0
  O  O13  1  0.305  0.195  0.423  1.0
  O  O14  1  0.195  0.695  0.423  1.0
  O  O15  1  0.805  0.305  0.577  1.0
  O  O16  1  0.645  0.568  0.250  1.0
  O  O17  1  0.355  0.432  0.750  1.0
  O  O18  1  0.145  0.932  0.750  1.0
  O  O19  1  0.855  0.068  0.250  1.0
[/CIF]
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The material structure described by PrYbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing YbO6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. Pr(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Yb(1) and two equivalent Pr(1) atoms. In the second O site, O(2) is bonded to two equivalent Yb(1) and two equivalent Pr(1) atoms to form corner-sharing OYb2Pr2 trigonal pyramids. is represented by the CIF card [CIF]
data_YbPrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.817
_cell_length_b   6.100
_cell_length_c   8.552
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.466
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Yb  Yb1  1  0.500  0.500  0.000  1.0
  Yb  Yb2  1  0.000  0.000  0.500  1.0
  Yb  Yb3  1  0.500  0.500  0.500  1.0
  Pr  Pr4  1  0.027  0.434  0.250  1.0
  Pr  Pr5  1  0.973  0.566  0.750  1.0
  Pr  Pr6  1  0.527  0.066  0.750  1.0
  Pr  Pr7  1  0.473  0.934  0.250  1.0
  O  O8  1  0.305  0.195  0.077  1.0
  O  O9  1  0.695  0.805  0.923  1.0
  O  O10  1  0.805  0.305  0.923  1.0
  O  O11  1  0.695  0.805  0.577  1.0
  O  O12  1  0.195  0.695  0.077  1.0
  O  O13  1  0.305  0.195  0.423  1.0
  O  O14  1  0.195  0.695  0.423  1.0
  O  O15  1  0.805  0.305  0.577  1.0
  O  O16  1  0.645  0.568  0.250  1.0
  O  O17  1  0.355  0.432  0.750  1.0
  O  O18  1  0.145  0.932  0.750  1.0
  O  O19  1  0.855  0.068  0.250  1.0
[/CIF]
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