The crystal structure described by CrFeTeO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2nm space group. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Te(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with four equivalent Te(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cr(1), one Fe(1), and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cr(1), one Fe(1), and one Te(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cr(1), one Fe(1), and one Te(1) atom. is represented by the CIF file [CIF]
data_CrFeTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.576
_cell_length_b   4.576
_cell_length_c   9.126
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.134
_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
  Cr  Cr0  1  0.500  0.500  0.165  1.0
  Cr  Cr1  1  0.000  0.000  0.665  1.0
  Fe  Fe2  1  0.500  0.500  0.834  1.0
  Fe  Fe3  1  0.000  0.000  0.334  1.0
  Te  Te4  1  0.500  0.500  0.500  1.0
  Te  Te5  1  0.000  0.000  1.000  1.0
  O  O6  1  0.196  0.804  0.498  1.0
  O  O7  1  0.804  0.196  0.498  1.0
  O  O8  1  0.304  0.304  0.998  1.0
  O  O9  1  0.696  0.696  0.998  1.0
  O  O10  1  0.190  0.810  0.166  1.0
  O  O11  1  0.810  0.190  0.166  1.0
  O  O12  1  0.310  0.310  0.666  1.0
  O  O13  1  0.690  0.690  0.666  1.0
  O  O14  1  0.803  0.197  0.836  1.0
  O  O15  1  0.197  0.803  0.836  1.0
  O  O16  1  0.697  0.697  0.336  1.0
  O  O17  1  0.303  0.303  0.336  1.0
[/CIF]
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The crystal structure described by CrFeTeO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2nm space group. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Te(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with four equivalent Te(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cr(1), one Fe(1), and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cr(1), one Fe(1), and one Te(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cr(1), one Fe(1), and one Te(1) atom. is represented by the CIF file [CIF]
data_CrFeTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.576
_cell_length_b   4.576
_cell_length_c   9.126
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.134
_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
  Cr  Cr0  1  0.500  0.500  0.165  1.0
  Cr  Cr1  1  0.000  0.000  0.665  1.0
  Fe  Fe2  1  0.500  0.500  0.834  1.0
  Fe  Fe3  1  0.000  0.000  0.334  1.0
  Te  Te4  1  0.500  0.500  0.500  1.0
  Te  Te5  1  0.000  0.000  1.000  1.0
  O  O6  1  0.196  0.804  0.498  1.0
  O  O7  1  0.804  0.196  0.498  1.0
  O  O8  1  0.304  0.304  0.998  1.0
  O  O9  1  0.696  0.696  0.998  1.0
  O  O10  1  0.190  0.810  0.166  1.0
  O  O11  1  0.810  0.190  0.166  1.0
  O  O12  1  0.310  0.310  0.666  1.0
  O  O13  1  0.690  0.690  0.666  1.0
  O  O14  1  0.803  0.197  0.836  1.0
  O  O15  1  0.197  0.803  0.836  1.0
  O  O16  1  0.697  0.697  0.336  1.0
  O  O17  1  0.303  0.303  0.336  1.0
[/CIF]
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