The compound described by Ti2Co3Te3O16 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form CoO6 octahedra that share edges with four equivalent Te(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share edges with two equivalent Co(2)O6 octahedra and edges with two equivalent Te(2)O6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TeO6 octahedra that share edges with two equivalent Co(1)O6 octahedra and edges with two equivalent Te(1)O6 octahedra. In the second Te site, Te(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TeO6 octahedra that share edges with four equivalent Co(2)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Co(2), and one Te(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Te(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Te(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Te(1) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to two equivalent Co(2) and one Te(2) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Ti(1), one Co(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(2) and two equivalent Te(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Co(2) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ti(2), one Co(2), and one Te(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Co(2) and one Te(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Ti(2), one Co(1), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ti(2) and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Ti2Co3Te3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.174
_cell_length_b   6.174
_cell_length_c   9.307
_cell_angle_alpha   88.439
_cell_angle_beta   88.439
_cell_angle_gamma   58.960
_symmetry_Int_Tables_number   1
_cell_volume   303.773
_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
  Ti  Ti0  1  0.679  0.679  0.488  1.0
  Ti  Ti1  1  0.359  0.359  0.038  1.0
  Co  Co2  1  0.827  0.827  0.791  1.0
  Co  Co3  1  0.170  0.670  0.299  1.0
  Co  Co4  1  0.670  0.170  0.299  1.0
  Te  Te5  1  0.329  0.827  0.785  1.0
  Te  Te6  1  0.827  0.329  0.785  1.0
  Te  Te7  1  0.172  0.172  0.285  1.0
  O  O8  1  0.352  0.846  0.401  1.0
  O  O9  1  0.514  0.514  0.663  1.0
  O  O10  1  0.646  0.646  0.904  1.0
  O  O11  1  0.004  0.004  0.675  1.0
  O  O12  1  0.013  0.013  0.197  1.0
  O  O13  1  0.846  0.352  0.401  1.0
  O  O14  1  0.505  0.947  0.667  1.0
  O  O15  1  0.947  0.505  0.667  1.0
  O  O16  1  0.152  0.152  0.894  1.0
  O  O17  1  0.828  0.828  0.410  1.0
  O  O18  1  0.049  0.467  0.150  1.0
  O  O19  1  0.467  0.049  0.150  1.0
  O  O20  1  0.321  0.321  0.395  1.0
  O  O21  1  0.173  0.669  0.892  1.0
  O  O22  1  0.482  0.482  0.154  1.0
  O  O23  1  0.669  0.173  0.892  1.0
[/CIF]
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The compound described by Ti2Co3Te3O16 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form CoO6 octahedra that share edges with four equivalent Te(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share edges with two equivalent Co(2)O6 octahedra and edges with two equivalent Te(2)O6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TeO6 octahedra that share edges with two equivalent Co(1)O6 octahedra and edges with two equivalent Te(1)O6 octahedra. In the second Te site, Te(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TeO6 octahedra that share edges with four equivalent Co(2)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Co(2), and one Te(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Te(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Te(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Te(1) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to two equivalent Co(2) and one Te(2) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Ti(1), one Co(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(2) and two equivalent Te(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Co(2) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ti(2), one Co(2), and one Te(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Co(2) and one Te(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Ti(2), one Co(1), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ti(2) and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Ti2Co3Te3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.174
_cell_length_b   6.174
_cell_length_c   9.307
_cell_angle_alpha   88.439
_cell_angle_beta   88.439
_cell_angle_gamma   58.960
_symmetry_Int_Tables_number   1
_cell_volume   303.773
_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
  Ti  Ti0  1  0.679  0.679  0.488  1.0
  Ti  Ti1  1  0.359  0.359  0.038  1.0
  Co  Co2  1  0.827  0.827  0.791  1.0
  Co  Co3  1  0.170  0.670  0.299  1.0
  Co  Co4  1  0.670  0.170  0.299  1.0
  Te  Te5  1  0.329  0.827  0.785  1.0
  Te  Te6  1  0.827  0.329  0.785  1.0
  Te  Te7  1  0.172  0.172  0.285  1.0
  O  O8  1  0.352  0.846  0.401  1.0
  O  O9  1  0.514  0.514  0.663  1.0
  O  O10  1  0.646  0.646  0.904  1.0
  O  O11  1  0.004  0.004  0.675  1.0
  O  O12  1  0.013  0.013  0.197  1.0
  O  O13  1  0.846  0.352  0.401  1.0
  O  O14  1  0.505  0.947  0.667  1.0
  O  O15  1  0.947  0.505  0.667  1.0
  O  O16  1  0.152  0.152  0.894  1.0
  O  O17  1  0.828  0.828  0.410  1.0
  O  O18  1  0.049  0.467  0.150  1.0
  O  O19  1  0.467  0.049  0.150  1.0
  O  O20  1  0.321  0.321  0.395  1.0
  O  O21  1  0.173  0.669  0.892  1.0
  O  O22  1  0.482  0.482  0.154  1.0
  O  O23  1  0.669  0.173  0.892  1.0
[/CIF]
.