The compound described by DyNbO4 crystallizes in the monoclinic C2/m space group. Dy(1) is bonded to one O(1), one O(2), one O(4), and three equivalent O(3) atoms to form distorted DyO6 octahedra that share corners with two equivalent Dy(1)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, edges with two equivalent Dy(1)O6 octahedra, and edges with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-47°. Nb(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted NbO6 octahedra that share corners with two equivalent Dy(1)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with three equivalent Dy(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-31°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Dy(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Dy(1) and one Nb(1) atom. In the third O site, O(3) is bonded to three equivalent Dy(1) and one Nb(1) atom to form a mixture of corner and edge-sharing ODy3Nb tetrahedra. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Dy(1) and two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_DyNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.100
_cell_length_b   7.100
_cell_length_c   7.243
_cell_angle_alpha   74.155
_cell_angle_beta   74.155
_cell_angle_gamma   32.925
_symmetry_Int_Tables_number   1
_cell_volume   190.251
_cell_formula_units_Z   2
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  0.806  0.806  0.289  1.0
  Dy  Dy1  1  0.194  0.194  0.711  1.0
  Nb  Nb2  1  0.903  0.903  0.708  1.0
  Nb  Nb3  1  0.097  0.097  0.292  1.0
  O  O4  1  0.953  0.953  0.369  1.0
  O  O5  1  0.868  0.868  0.973  1.0
  O  O6  1  0.243  0.243  0.360  1.0
  O  O7  1  0.376  0.376  0.695  1.0
  O  O8  1  0.624  0.624  0.305  1.0
  O  O9  1  0.757  0.757  0.640  1.0
  O  O10  1  0.132  0.132  0.027  1.0
  O  O11  1  0.047  0.047  0.631  1.0
[/CIF]
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The compound described by DyNbO4 crystallizes in the monoclinic C2/m space group. Dy(1) is bonded to one O(1), one O(2), one O(4), and three equivalent O(3) atoms to form distorted DyO6 octahedra that share corners with two equivalent Dy(1)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, edges with two equivalent Dy(1)O6 octahedra, and edges with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-47°. Nb(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted NbO6 octahedra that share corners with two equivalent Dy(1)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with three equivalent Dy(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-31°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Dy(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Dy(1) and one Nb(1) atom. In the third O site, O(3) is bonded to three equivalent Dy(1) and one Nb(1) atom to form a mixture of corner and edge-sharing ODy3Nb tetrahedra. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Dy(1) and two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_DyNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.100
_cell_length_b   7.100
_cell_length_c   7.243
_cell_angle_alpha   74.155
_cell_angle_beta   74.155
_cell_angle_gamma   32.925
_symmetry_Int_Tables_number   1
_cell_volume   190.251
_cell_formula_units_Z   2
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  0.806  0.806  0.289  1.0
  Dy  Dy1  1  0.194  0.194  0.711  1.0
  Nb  Nb2  1  0.903  0.903  0.708  1.0
  Nb  Nb3  1  0.097  0.097  0.292  1.0
  O  O4  1  0.953  0.953  0.369  1.0
  O  O5  1  0.868  0.868  0.973  1.0
  O  O6  1  0.243  0.243  0.360  1.0
  O  O7  1  0.376  0.376  0.695  1.0
  O  O8  1  0.624  0.624  0.305  1.0
  O  O9  1  0.757  0.757  0.640  1.0
  O  O10  1  0.132  0.132  0.027  1.0
  O  O11  1  0.047  0.047  0.631  1.0
[/CIF]
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