The material described by ErNbO4 crystallizes in the monoclinic C2/c space group. Er(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 4-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 Er(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Er(1) and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   5.254
_cell_length_c   6.495
_cell_angle_alpha   112.200
_cell_angle_beta   111.376
_cell_angle_gamma   93.894
_symmetry_Int_Tables_number   1
_cell_volume   145.437
_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
  Er  Er0  1  0.378  0.628  0.757  1.0
  Er  Er1  1  0.622  0.372  0.243  1.0
  Nb  Nb2  1  0.859  0.109  0.719  1.0
  Nb  Nb3  1  0.141  0.891  0.281  1.0
  O  O4  1  0.991  0.782  0.564  1.0
  O  O5  1  0.573  0.282  0.563  1.0
  O  O6  1  0.009  0.218  0.436  1.0
  O  O7  1  0.427  0.718  0.437  1.0
  O  O8  1  0.215  0.378  0.925  1.0
  O  O9  1  0.710  0.047  0.925  1.0
  O  O10  1  0.785  0.622  0.075  1.0
  O  O11  1  0.290  0.953  0.075  1.0
[/CIF]
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The material described by ErNbO4 crystallizes in the monoclinic C2/c space group. Er(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 4-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 Er(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Er(1) and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   5.254
_cell_length_c   6.495
_cell_angle_alpha   112.200
_cell_angle_beta   111.376
_cell_angle_gamma   93.894
_symmetry_Int_Tables_number   1
_cell_volume   145.437
_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
  Er  Er0  1  0.378  0.628  0.757  1.0
  Er  Er1  1  0.622  0.372  0.243  1.0
  Nb  Nb2  1  0.859  0.109  0.719  1.0
  Nb  Nb3  1  0.141  0.891  0.281  1.0
  O  O4  1  0.991  0.782  0.564  1.0
  O  O5  1  0.573  0.282  0.563  1.0
  O  O6  1  0.009  0.218  0.436  1.0
  O  O7  1  0.427  0.718  0.437  1.0
  O  O8  1  0.215  0.378  0.925  1.0
  O  O9  1  0.710  0.047  0.925  1.0
  O  O10  1  0.785  0.622  0.075  1.0
  O  O11  1  0.290  0.953  0.075  1.0
[/CIF]
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