The material described by Cr2FeTlO10 crystallizes in the monoclinic C2/m space group. Cr(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form CrO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with four equivalent Cr(1)O4 tetrahedra. Tl(1) is bonded in a distorted linear geometry to two equivalent O(4) and four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cr(1), one Fe(1), and one Tl(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cr(1) and one Tl(1) atom. is represented by the CIF card [CIF]
data_TlCr2FeO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.037
_cell_length_b   6.037
_cell_length_c   7.757
_cell_angle_alpha   68.114
_cell_angle_beta   68.114
_cell_angle_gamma   55.479
_symmetry_Int_Tables_number   1
_cell_volume   211.251
_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
  Tl  Tl0  1  0.000  0.000  0.500  1.0
  Cr  Cr1  1  0.393  0.393  0.287  1.0
  Cr  Cr2  1  0.607  0.607  0.713  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.822  0.822  0.078  1.0
  O  O5  1  0.178  0.178  0.922  1.0
  O  O6  1  0.740  0.234  0.195  1.0
  O  O7  1  0.260  0.766  0.805  1.0
  O  O8  1  0.766  0.260  0.805  1.0
  O  O9  1  0.234  0.740  0.195  1.0
  O  O10  1  0.646  0.646  0.488  1.0
  O  O11  1  0.354  0.354  0.512  1.0
  O  O12  1  0.249  0.249  0.257  1.0
  O  O13  1  0.751  0.751  0.743  1.0
[/CIF]
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The material described by Cr2FeTlO10 crystallizes in the monoclinic C2/m space group. Cr(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form CrO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with four equivalent Cr(1)O4 tetrahedra. Tl(1) is bonded in a distorted linear geometry to two equivalent O(4) and four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cr(1), one Fe(1), and one Tl(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cr(1) and one Tl(1) atom. is represented by the CIF card [CIF]
data_TlCr2FeO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.037
_cell_length_b   6.037
_cell_length_c   7.757
_cell_angle_alpha   68.114
_cell_angle_beta   68.114
_cell_angle_gamma   55.479
_symmetry_Int_Tables_number   1
_cell_volume   211.251
_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
  Tl  Tl0  1  0.000  0.000  0.500  1.0
  Cr  Cr1  1  0.393  0.393  0.287  1.0
  Cr  Cr2  1  0.607  0.607  0.713  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.822  0.822  0.078  1.0
  O  O5  1  0.178  0.178  0.922  1.0
  O  O6  1  0.740  0.234  0.195  1.0
  O  O7  1  0.260  0.766  0.805  1.0
  O  O8  1  0.766  0.260  0.805  1.0
  O  O9  1  0.234  0.740  0.195  1.0
  O  O10  1  0.646  0.646  0.488  1.0
  O  O11  1  0.354  0.354  0.512  1.0
  O  O12  1  0.249  0.249  0.257  1.0
  O  O13  1  0.751  0.751  0.743  1.0
[/CIF]
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