The structure described by Er(BiO2)3 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the second Er site, Er(2) is bonded in an octahedral geometry to six equivalent O(2) atoms. Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Er(1) and three equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OErBi3 trigonal pyramids. In the second O site, O(2) is bonded to one Er(2) and three equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OErBi3 trigonal pyramids. is represented by the CIF file [CIF]
data_Er(BiO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.992
_cell_length_b   6.992
_cell_length_c   6.992
_cell_angle_alpha   93.009
_cell_angle_beta   93.009
_cell_angle_gamma   93.009
_symmetry_Int_Tables_number   1
_cell_volume   340.325
_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  0.000  0.000  0.000  1.0
  Er  Er1  1  0.500  0.500  0.500  1.0
  Bi  Bi2  1  0.750  0.931  0.447  1.0
  Bi  Bi3  1  0.447  0.750  0.931  1.0
  Bi  Bi4  1  0.069  0.553  0.250  1.0
  Bi  Bi5  1  0.931  0.447  0.750  1.0
  Bi  Bi6  1  0.553  0.250  0.069  1.0
  Bi  Bi7  1  0.250  0.069  0.553  1.0
  O  O8  1  0.074  0.929  0.308  1.0
  O  O9  1  0.692  0.926  0.071  1.0
  O  O10  1  0.473  0.809  0.598  1.0
  O  O11  1  0.071  0.692  0.926  1.0
  O  O12  1  0.809  0.598  0.473  1.0
  O  O13  1  0.402  0.527  0.191  1.0
  O  O14  1  0.598  0.473  0.809  1.0
  O  O15  1  0.191  0.402  0.527  1.0
  O  O16  1  0.929  0.308  0.074  1.0
  O  O17  1  0.527  0.191  0.402  1.0
  O  O18  1  0.308  0.074  0.929  1.0
  O  O19  1  0.926  0.071  0.692  1.0
[/CIF]
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The structure described by Er(BiO2)3 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the second Er site, Er(2) is bonded in an octahedral geometry to six equivalent O(2) atoms. Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Er(1) and three equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OErBi3 trigonal pyramids. In the second O site, O(2) is bonded to one Er(2) and three equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OErBi3 trigonal pyramids. is represented by the CIF file [CIF]
data_Er(BiO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.992
_cell_length_b   6.992
_cell_length_c   6.992
_cell_angle_alpha   93.009
_cell_angle_beta   93.009
_cell_angle_gamma   93.009
_symmetry_Int_Tables_number   1
_cell_volume   340.325
_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  0.000  0.000  0.000  1.0
  Er  Er1  1  0.500  0.500  0.500  1.0
  Bi  Bi2  1  0.750  0.931  0.447  1.0
  Bi  Bi3  1  0.447  0.750  0.931  1.0
  Bi  Bi4  1  0.069  0.553  0.250  1.0
  Bi  Bi5  1  0.931  0.447  0.750  1.0
  Bi  Bi6  1  0.553  0.250  0.069  1.0
  Bi  Bi7  1  0.250  0.069  0.553  1.0
  O  O8  1  0.074  0.929  0.308  1.0
  O  O9  1  0.692  0.926  0.071  1.0
  O  O10  1  0.473  0.809  0.598  1.0
  O  O11  1  0.071  0.692  0.926  1.0
  O  O12  1  0.809  0.598  0.473  1.0
  O  O13  1  0.402  0.527  0.191  1.0
  O  O14  1  0.598  0.473  0.809  1.0
  O  O15  1  0.191  0.402  0.527  1.0
  O  O16  1  0.929  0.308  0.074  1.0
  O  O17  1  0.527  0.191  0.402  1.0
  O  O18  1  0.308  0.074  0.929  1.0
  O  O19  1  0.926  0.071  0.692  1.0
[/CIF]
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