The crystal structure described by TmBi2O4I is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. Tm(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Bi(1) is bonded in a 4-coordinate geometry to four equivalent O(1) and four equivalent I(1) atoms. O(1) is bonded to two equivalent Tm(1) and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OTm2Bi2 tetrahedra. I(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmBi2IO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.921
_cell_length_b   3.921
_cell_length_c   9.673
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   148.745
_cell_formula_units_Z   1
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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  Bi  Bi1  1  0.500  0.500  0.256  1.0
  Bi  Bi2  1  0.500  0.500  0.744  1.0
  I  I3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.000  0.500  0.140  1.0
  O  O5  1  0.500  0.000  0.860  1.0
  O  O6  1  0.500  0.000  0.140  1.0
  O  O7  1  0.000  0.500  0.860  1.0
[/CIF]
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The crystal structure described by TmBi2O4I is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. Tm(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Bi(1) is bonded in a 4-coordinate geometry to four equivalent O(1) and four equivalent I(1) atoms. O(1) is bonded to two equivalent Tm(1) and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OTm2Bi2 tetrahedra. I(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmBi2IO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.921
_cell_length_b   3.921
_cell_length_c   9.673
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   148.745
_cell_formula_units_Z   1
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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  Bi  Bi1  1  0.500  0.500  0.256  1.0
  Bi  Bi2  1  0.500  0.500  0.744  1.0
  I  I3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.000  0.500  0.140  1.0
  O  O5  1  0.500  0.000  0.860  1.0
  O  O6  1  0.500  0.000  0.140  1.0
  O  O7  1  0.000  0.500  0.860  1.0
[/CIF]
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