The compound described by DyNbO4 crystallizes in the monoclinic P2/c space group. Dy(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Dy(1) and one Nb(1) atom. In the second O site, O(2) is bonded to two equivalent Dy(1) and two equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing ODy2Nb2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.439
_cell_length_b   5.124
_cell_length_c   5.329
_cell_angle_alpha   84.424
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   147.816
_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  0.241  0.000  0.750  1.0
  Dy  Dy1  1  0.759  0.000  0.250  1.0
  Nb  Nb2  1  0.706  0.500  0.750  1.0
  Nb  Nb3  1  0.294  0.500  0.250  1.0
  O  O4  1  0.924  0.251  0.908  1.0
  O  O5  1  0.441  0.262  0.019  1.0
  O  O6  1  0.441  0.738  0.481  1.0
  O  O7  1  0.924  0.749  0.592  1.0
  O  O8  1  0.076  0.251  0.408  1.0
  O  O9  1  0.559  0.262  0.519  1.0
  O  O10  1  0.559  0.738  0.981  1.0
  O  O11  1  0.076  0.749  0.092  1.0
[/CIF]
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The compound described by DyNbO4 crystallizes in the monoclinic P2/c space group. Dy(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Dy(1) and one Nb(1) atom. In the second O site, O(2) is bonded to two equivalent Dy(1) and two equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing ODy2Nb2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.439
_cell_length_b   5.124
_cell_length_c   5.329
_cell_angle_alpha   84.424
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   147.816
_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  0.241  0.000  0.750  1.0
  Dy  Dy1  1  0.759  0.000  0.250  1.0
  Nb  Nb2  1  0.706  0.500  0.750  1.0
  Nb  Nb3  1  0.294  0.500  0.250  1.0
  O  O4  1  0.924  0.251  0.908  1.0
  O  O5  1  0.441  0.262  0.019  1.0
  O  O6  1  0.441  0.738  0.481  1.0
  O  O7  1  0.924  0.749  0.592  1.0
  O  O8  1  0.076  0.251  0.408  1.0
  O  O9  1  0.559  0.262  0.519  1.0
  O  O10  1  0.559  0.738  0.981  1.0
  O  O11  1  0.076  0.749  0.092  1.0
[/CIF]
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