The crystal structure described by Dy(BiO2)3 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the second Dy site, Dy(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 Dy(1) and three equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing ODyBi3 trigonal pyramids. In the second O site, O(2) is bonded to one Dy(2) and three equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing ODyBi3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy(BiO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.007
_cell_length_b   7.007
_cell_length_c   7.007
_cell_angle_alpha   92.754
_cell_angle_beta   92.754
_cell_angle_gamma   92.754
_symmetry_Int_Tables_number   1
_cell_volume   342.841
_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  0.500  0.500  0.500  1.0
  Bi  Bi2  1  0.553  0.068  0.251  1.0
  Bi  Bi3  1  0.068  0.251  0.553  1.0
  Bi  Bi4  1  0.749  0.447  0.932  1.0
  Bi  Bi5  1  0.251  0.553  0.068  1.0
  Bi  Bi6  1  0.932  0.749  0.447  1.0
  Bi  Bi7  1  0.447  0.932  0.749  1.0
  O  O8  1  0.692  0.073  0.925  1.0
  O  O9  1  0.927  0.075  0.308  1.0
  O  O10  1  0.400  0.188  0.526  1.0
  O  O11  1  0.075  0.308  0.927  1.0
  O  O12  1  0.526  0.400  0.188  1.0
  O  O13  1  0.812  0.474  0.600  1.0
  O  O14  1  0.188  0.526  0.400  1.0
  O  O15  1  0.474  0.600  0.812  1.0
  O  O16  1  0.925  0.692  0.073  1.0
  O  O17  1  0.600  0.812  0.474  1.0
  O  O18  1  0.073  0.925  0.692  1.0
  O  O19  1  0.308  0.927  0.075  1.0
[/CIF]
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The crystal structure described by Dy(BiO2)3 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the second Dy site, Dy(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 Dy(1) and three equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing ODyBi3 trigonal pyramids. In the second O site, O(2) is bonded to one Dy(2) and three equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing ODyBi3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy(BiO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.007
_cell_length_b   7.007
_cell_length_c   7.007
_cell_angle_alpha   92.754
_cell_angle_beta   92.754
_cell_angle_gamma   92.754
_symmetry_Int_Tables_number   1
_cell_volume   342.841
_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  0.500  0.500  0.500  1.0
  Bi  Bi2  1  0.553  0.068  0.251  1.0
  Bi  Bi3  1  0.068  0.251  0.553  1.0
  Bi  Bi4  1  0.749  0.447  0.932  1.0
  Bi  Bi5  1  0.251  0.553  0.068  1.0
  Bi  Bi6  1  0.932  0.749  0.447  1.0
  Bi  Bi7  1  0.447  0.932  0.749  1.0
  O  O8  1  0.692  0.073  0.925  1.0
  O  O9  1  0.927  0.075  0.308  1.0
  O  O10  1  0.400  0.188  0.526  1.0
  O  O11  1  0.075  0.308  0.927  1.0
  O  O12  1  0.526  0.400  0.188  1.0
  O  O13  1  0.812  0.474  0.600  1.0
  O  O14  1  0.188  0.526  0.400  1.0
  O  O15  1  0.474  0.600  0.812  1.0
  O  O16  1  0.925  0.692  0.073  1.0
  O  O17  1  0.600  0.812  0.474  1.0
  O  O18  1  0.073  0.925  0.692  1.0
  O  O19  1  0.308  0.927  0.075  1.0
[/CIF]
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