The compound described by TlFeO2 is Cuprite-derived structured and crystallizes in the trigonal R-3m space group. The structure consists of six 7440-28-0 atoms inside a FeO2 framework. In the FeO2 framework, Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlFeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.105
_cell_length_b   6.105
_cell_length_c   6.105
_cell_angle_alpha   59.744
_cell_angle_beta   59.744
_cell_angle_gamma   59.744
_symmetry_Int_Tables_number   1
_cell_volume   159.993
_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
  Tl  Tl0  1  0.878  0.878  0.878  1.0
  Tl  Tl1  1  0.122  0.122  0.122  1.0
  Fe  Fe2  1  0.625  0.625  0.625  1.0
  Fe  Fe3  1  0.375  0.375  0.375  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.500  0.500  1.000  1.0
  O  O7  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by TlFeO2 is Cuprite-derived structured and crystallizes in the trigonal R-3m space group. The structure consists of six 7440-28-0 atoms inside a FeO2 framework. In the FeO2 framework, Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlFeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.105
_cell_length_b   6.105
_cell_length_c   6.105
_cell_angle_alpha   59.744
_cell_angle_beta   59.744
_cell_angle_gamma   59.744
_symmetry_Int_Tables_number   1
_cell_volume   159.993
_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
  Tl  Tl0  1  0.878  0.878  0.878  1.0
  Tl  Tl1  1  0.122  0.122  0.122  1.0
  Fe  Fe2  1  0.625  0.625  0.625  1.0
  Fe  Fe3  1  0.375  0.375  0.375  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.500  0.500  1.000  1.0
  O  O7  1  0.500  0.500  0.500  1.0
[/CIF]
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