The material structure described by ErNbO4 crystallizes in the monoclinic P2/c space group. Er(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing NbO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Er(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Er(1) and two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_ErNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.806
_cell_length_b   5.087
_cell_length_c   5.308
_cell_angle_alpha   86.463
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   156.444
_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  0.204  0.000  0.750  1.0
  Er  Er1  1  0.796  0.000  0.250  1.0
  Nb  Nb2  1  0.683  0.500  0.750  1.0
  Nb  Nb3  1  0.317  0.500  0.250  1.0
  O  O4  1  0.889  0.241  0.895  1.0
  O  O5  1  0.406  0.284  0.960  1.0
  O  O6  1  0.406  0.716  0.540  1.0
  O  O7  1  0.889  0.759  0.605  1.0
  O  O8  1  0.111  0.241  0.395  1.0
  O  O9  1  0.594  0.284  0.460  1.0
  O  O10  1  0.594  0.716  0.041  1.0
  O  O11  1  0.111  0.759  0.105  1.0
[/CIF]
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The material structure described by ErNbO4 crystallizes in the monoclinic P2/c space group. Er(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing NbO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Er(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Er(1) and two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_ErNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.806
_cell_length_b   5.087
_cell_length_c   5.308
_cell_angle_alpha   86.463
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   156.444
_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  0.204  0.000  0.750  1.0
  Er  Er1  1  0.796  0.000  0.250  1.0
  Nb  Nb2  1  0.683  0.500  0.750  1.0
  Nb  Nb3  1  0.317  0.500  0.250  1.0
  O  O4  1  0.889  0.241  0.895  1.0
  O  O5  1  0.406  0.284  0.960  1.0
  O  O6  1  0.406  0.716  0.540  1.0
  O  O7  1  0.889  0.759  0.605  1.0
  O  O8  1  0.111  0.241  0.395  1.0
  O  O9  1  0.594  0.284  0.460  1.0
  O  O10  1  0.594  0.716  0.041  1.0
  O  O11  1  0.111  0.759  0.105  1.0
[/CIF]
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