The compound described by DyVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Dy(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Dy(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded to two equivalent Dy(1) and two equivalent V(1) atoms to form distorted corner-sharing ODy2V2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.253
_cell_length_b   5.666
_cell_length_c   7.544
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.494
_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  0.020  0.071  0.750  1.0
  Dy  Dy1  1  0.520  0.429  0.250  1.0
  Dy  Dy2  1  0.480  0.571  0.750  1.0
  Dy  Dy3  1  0.980  0.929  0.250  1.0
  V  V4  1  0.500  0.000  0.500  1.0
  V  V5  1  0.000  0.500  0.500  1.0
  V  V6  1  0.000  0.500  0.000  1.0
  V  V7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.694  0.690  0.443  1.0
  O  O9  1  0.194  0.810  0.557  1.0
  O  O10  1  0.806  0.190  0.057  1.0
  O  O11  1  0.306  0.310  0.943  1.0
  O  O12  1  0.306  0.310  0.557  1.0
  O  O13  1  0.806  0.190  0.443  1.0
  O  O14  1  0.194  0.810  0.943  1.0
  O  O15  1  0.694  0.690  0.057  1.0
  O  O16  1  0.115  0.544  0.250  1.0
  O  O17  1  0.615  0.956  0.750  1.0
  O  O18  1  0.385  0.044  0.250  1.0
  O  O19  1  0.885  0.456  0.750  1.0
[/CIF]
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The compound described by DyVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Dy(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Dy(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded to two equivalent Dy(1) and two equivalent V(1) atoms to form distorted corner-sharing ODy2V2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.253
_cell_length_b   5.666
_cell_length_c   7.544
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.494
_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  0.020  0.071  0.750  1.0
  Dy  Dy1  1  0.520  0.429  0.250  1.0
  Dy  Dy2  1  0.480  0.571  0.750  1.0
  Dy  Dy3  1  0.980  0.929  0.250  1.0
  V  V4  1  0.500  0.000  0.500  1.0
  V  V5  1  0.000  0.500  0.500  1.0
  V  V6  1  0.000  0.500  0.000  1.0
  V  V7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.694  0.690  0.443  1.0
  O  O9  1  0.194  0.810  0.557  1.0
  O  O10  1  0.806  0.190  0.057  1.0
  O  O11  1  0.306  0.310  0.943  1.0
  O  O12  1  0.306  0.310  0.557  1.0
  O  O13  1  0.806  0.190  0.443  1.0
  O  O14  1  0.194  0.810  0.943  1.0
  O  O15  1  0.694  0.690  0.057  1.0
  O  O16  1  0.115  0.544  0.250  1.0
  O  O17  1  0.615  0.956  0.750  1.0
  O  O18  1  0.385  0.044  0.250  1.0
  O  O19  1  0.885  0.456  0.750  1.0
[/CIF]
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