The structure described by DyNbO4 crystallizes in the tetragonal I4_1 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 tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Dy(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Dy(1) and one Nb(1) atom. is represented by the CIF file [CIF]
data_DyNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.688
_cell_length_b   6.688
_cell_length_c   6.688
_cell_angle_alpha   133.755
_cell_angle_beta   133.755
_cell_angle_gamma   67.472
_symmetry_Int_Tables_number   1
_cell_volume   153.452
_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  0.000  0.000  0.000  1.0
  Dy  Dy1  1  0.750  0.250  0.500  1.0
  Nb  Nb2  1  0.494  0.494  0.000  1.0
  Nb  Nb3  1  0.244  0.744  0.500  1.0
  O  O4  1  0.987  0.407  0.077  1.0
  O  O5  1  0.330  0.910  0.923  1.0
  O  O6  1  0.763  0.843  0.423  1.0
  O  O7  1  0.420  0.340  0.577  1.0
  O  O8  1  0.660  0.237  0.080  1.0
  O  O9  1  0.157  0.580  0.920  1.0
  O  O10  1  0.090  0.013  0.420  1.0
  O  O11  1  0.593  0.670  0.580  1.0
[/CIF]
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The structure described by DyNbO4 crystallizes in the tetragonal I4_1 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 tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Dy(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Dy(1) and one Nb(1) atom. is represented by the CIF file [CIF]
data_DyNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.688
_cell_length_b   6.688
_cell_length_c   6.688
_cell_angle_alpha   133.755
_cell_angle_beta   133.755
_cell_angle_gamma   67.472
_symmetry_Int_Tables_number   1
_cell_volume   153.452
_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  0.000  0.000  0.000  1.0
  Dy  Dy1  1  0.750  0.250  0.500  1.0
  Nb  Nb2  1  0.494  0.494  0.000  1.0
  Nb  Nb3  1  0.244  0.744  0.500  1.0
  O  O4  1  0.987  0.407  0.077  1.0
  O  O5  1  0.330  0.910  0.923  1.0
  O  O6  1  0.763  0.843  0.423  1.0
  O  O7  1  0.420  0.340  0.577  1.0
  O  O8  1  0.660  0.237  0.080  1.0
  O  O9  1  0.157  0.580  0.920  1.0
  O  O10  1  0.090  0.013  0.420  1.0
  O  O11  1  0.593  0.670  0.580  1.0
[/CIF]
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