The structure described by FeTe6O13 crystallizes in the trigonal R-3 space group. Fe(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Te(2)O5 square pyramids. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(5), and two equivalent O(3) atoms. In the second Te site, Te(2) is bonded to one O(5), two equivalent O(1), and two equivalent O(4) atoms to form distorted TeO5 square pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Te(2)O5 square pyramids, and  an edgeedge with one Te(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 49-67°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Te(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Te(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Te(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Te(2) atoms. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Te(1) and one Te(2) atom. is represented by the CIF card [CIF]
data_FeTe6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.659
_cell_length_b   8.659
_cell_length_c   8.659
_cell_angle_alpha   72.116
_cell_angle_beta   72.116
_cell_angle_gamma   72.116
_symmetry_Int_Tables_number   1
_cell_volume   571.582
_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
  Fe  Fe0  1  0.743  0.743  0.743  1.0
  Fe  Fe1  1  0.257  0.257  0.257  1.0
  Te  Te2  1  0.667  0.060  0.986  1.0
  Te  Te3  1  0.471  0.175  0.580  1.0
  Te  Te4  1  0.175  0.580  0.471  1.0
  Te  Te5  1  0.940  0.014  0.333  1.0
  Te  Te6  1  0.420  0.529  0.825  1.0
  Te  Te7  1  0.529  0.825  0.420  1.0
  Te  Te8  1  0.825  0.420  0.529  1.0
  Te  Te9  1  0.060  0.986  0.667  1.0
  Te  Te10  1  0.333  0.940  0.014  1.0
  Te  Te11  1  0.014  0.333  0.940  1.0
  Te  Te12  1  0.986  0.667  0.060  1.0
  Te  Te13  1  0.580  0.471  0.175  1.0
  O  O14  1  0.389  0.700  0.626  1.0
  O  O15  1  0.912  0.912  0.912  1.0
  O  O16  1  0.897  0.921  0.602  1.0
  O  O17  1  0.374  0.611  0.300  1.0
  O  O18  1  0.635  0.884  0.543  1.0
  O  O19  1  0.200  0.696  0.947  1.0
  O  O20  1  0.398  0.103  0.079  1.0
  O  O21  1  0.088  0.088  0.088  1.0
  O  O22  1  0.304  0.053  0.800  1.0
  O  O23  1  0.457  0.365  0.116  1.0
  O  O24  1  0.611  0.300  0.374  1.0
  O  O25  1  0.365  0.116  0.457  1.0
  O  O26  1  0.884  0.543  0.635  1.0
  O  O27  1  0.947  0.200  0.696  1.0
  O  O28  1  0.602  0.897  0.921  1.0
  O  O29  1  0.921  0.602  0.897  1.0
  O  O30  1  0.103  0.079  0.398  1.0
  O  O31  1  0.696  0.947  0.200  1.0
  O  O32  1  0.700  0.626  0.389  1.0
  O  O33  1  0.053  0.800  0.304  1.0
  O  O34  1  0.079  0.398  0.103  1.0
  O  O35  1  0.543  0.635  0.884  1.0
  O  O36  1  0.626  0.389  0.700  1.0
  O  O37  1  0.300  0.374  0.611  1.0
  O  O38  1  0.800  0.304  0.053  1.0
  O  O39  1  0.116  0.457  0.365  1.0
[/CIF]
.
The structure described by FeTe6O13 crystallizes in the trigonal R-3 space group. Fe(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Te(2)O5 square pyramids. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(5), and two equivalent O(3) atoms. In the second Te site, Te(2) is bonded to one O(5), two equivalent O(1), and two equivalent O(4) atoms to form distorted TeO5 square pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Te(2)O5 square pyramids, and  an edgeedge with one Te(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 49-67°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Te(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Te(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Te(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Te(2) atoms. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Te(1) and one Te(2) atom. is represented by the CIF card [CIF]
data_FeTe6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.659
_cell_length_b   8.659
_cell_length_c   8.659
_cell_angle_alpha   72.116
_cell_angle_beta   72.116
_cell_angle_gamma   72.116
_symmetry_Int_Tables_number   1
_cell_volume   571.582
_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
  Fe  Fe0  1  0.743  0.743  0.743  1.0
  Fe  Fe1  1  0.257  0.257  0.257  1.0
  Te  Te2  1  0.667  0.060  0.986  1.0
  Te  Te3  1  0.471  0.175  0.580  1.0
  Te  Te4  1  0.175  0.580  0.471  1.0
  Te  Te5  1  0.940  0.014  0.333  1.0
  Te  Te6  1  0.420  0.529  0.825  1.0
  Te  Te7  1  0.529  0.825  0.420  1.0
  Te  Te8  1  0.825  0.420  0.529  1.0
  Te  Te9  1  0.060  0.986  0.667  1.0
  Te  Te10  1  0.333  0.940  0.014  1.0
  Te  Te11  1  0.014  0.333  0.940  1.0
  Te  Te12  1  0.986  0.667  0.060  1.0
  Te  Te13  1  0.580  0.471  0.175  1.0
  O  O14  1  0.389  0.700  0.626  1.0
  O  O15  1  0.912  0.912  0.912  1.0
  O  O16  1  0.897  0.921  0.602  1.0
  O  O17  1  0.374  0.611  0.300  1.0
  O  O18  1  0.635  0.884  0.543  1.0
  O  O19  1  0.200  0.696  0.947  1.0
  O  O20  1  0.398  0.103  0.079  1.0
  O  O21  1  0.088  0.088  0.088  1.0
  O  O22  1  0.304  0.053  0.800  1.0
  O  O23  1  0.457  0.365  0.116  1.0
  O  O24  1  0.611  0.300  0.374  1.0
  O  O25  1  0.365  0.116  0.457  1.0
  O  O26  1  0.884  0.543  0.635  1.0
  O  O27  1  0.947  0.200  0.696  1.0
  O  O28  1  0.602  0.897  0.921  1.0
  O  O29  1  0.921  0.602  0.897  1.0
  O  O30  1  0.103  0.079  0.398  1.0
  O  O31  1  0.696  0.947  0.200  1.0
  O  O32  1  0.700  0.626  0.389  1.0
  O  O33  1  0.053  0.800  0.304  1.0
  O  O34  1  0.079  0.398  0.103  1.0
  O  O35  1  0.543  0.635  0.884  1.0
  O  O36  1  0.626  0.389  0.700  1.0
  O  O37  1  0.300  0.374  0.611  1.0
  O  O38  1  0.800  0.304  0.053  1.0
  O  O39  1  0.116  0.457  0.365  1.0
[/CIF]
.