The compound described by CoZnTe3O8 crystallizes in the monoclinic C2 space group. Co(1) is bonded to one O(2), one O(3), one O(4), one O(7), and two equivalent O(5) atoms to form distorted corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 58°. Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(8), and two equivalent O(6) atoms. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a see-saw-like geometry to two equivalent O(2) and two equivalent O(7) atoms. In the second Te site, Te(2) is bonded in a see-saw-like geometry to two equivalent O(1) and two equivalent O(8) atoms. In the third Te site, Te(3) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(7) atom. In the fourth Te site, Te(4) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a trigonal planar geometry to one Co(1), one Te(1), and one Te(3) atom. In the second O site, O(8) is bonded in a trigonal planar geometry to one Zn(1), one Te(2), and one Te(4) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one Te(2) atom. In the fourth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one Te(1) atom. In the fifth O site, O(3) is bonded in a distorted tetrahedral geometry to one Co(1), one Zn(1), one Te(3), and one Te(4) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Co(1), one Zn(1), one Te(3), and one Te(4) atom. In the seventh O site, O(5) is bonded in a trigonal planar geometry to two equivalent Co(1) and one Te(3) atom. In the eighth O site, O(6) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one Te(4) atom. is represented by the CIF file [CIF]
data_ZnCoTe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.303
_cell_length_b   6.950
_cell_length_c   11.889
_cell_angle_alpha   98.633
_cell_angle_beta   90.001
_cell_angle_gamma   112.426
_symmetry_Int_Tables_number   1
_cell_volume   399.701
_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
  Co  Co0  1  0.937  0.458  0.848  1.0
  Co  Co1  1  0.478  0.542  0.652  1.0
  O  O2  1  0.334  0.837  0.144  1.0
  O  O3  1  0.498  0.163  0.356  1.0
  O  O4  1  0.661  0.163  0.856  1.0
  O  O5  1  0.498  0.837  0.644  1.0
  O  O6  1  0.754  0.528  0.032  1.0
  O  O7  1  0.226  0.472  0.468  1.0
  O  O8  1  0.252  0.468  0.962  1.0
  O  O9  1  0.785  0.532  0.538  1.0
  O  O10  1  0.685  0.609  0.810  1.0
  O  O11  1  0.076  0.391  0.690  1.0
  O  O12  1  0.320  0.394  0.186  1.0
  O  O13  1  0.926  0.606  0.314  1.0
  O  O14  1  0.271  0.771  0.860  1.0
  O  O15  1  0.500  0.229  0.640  1.0
  O  O16  1  0.725  0.227  0.139  1.0
  O  O17  1  0.498  0.773  0.361  1.0
  Te  Te18  1  0.359  0.000  0.750  1.0
  Te  Te19  1  0.636  1.000  0.250  1.0
  Te  Te20  1  0.559  0.725  0.944  1.0
  Te  Te21  1  0.834  0.275  0.556  1.0
  Te  Te22  1  0.442  0.274  0.052  1.0
  Te  Te23  1  0.168  0.726  0.448  1.0
  Zn  Zn24  1  0.061  0.542  0.156  1.0
  Zn  Zn25  1  0.519  0.458  0.344  1.0
[/CIF]
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The compound described by CoZnTe3O8 crystallizes in the monoclinic C2 space group. Co(1) is bonded to one O(2), one O(3), one O(4), one O(7), and two equivalent O(5) atoms to form distorted corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 58°. Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(8), and two equivalent O(6) atoms. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a see-saw-like geometry to two equivalent O(2) and two equivalent O(7) atoms. In the second Te site, Te(2) is bonded in a see-saw-like geometry to two equivalent O(1) and two equivalent O(8) atoms. In the third Te site, Te(3) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(7) atom. In the fourth Te site, Te(4) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a trigonal planar geometry to one Co(1), one Te(1), and one Te(3) atom. In the second O site, O(8) is bonded in a trigonal planar geometry to one Zn(1), one Te(2), and one Te(4) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one Te(2) atom. In the fourth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one Te(1) atom. In the fifth O site, O(3) is bonded in a distorted tetrahedral geometry to one Co(1), one Zn(1), one Te(3), and one Te(4) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Co(1), one Zn(1), one Te(3), and one Te(4) atom. In the seventh O site, O(5) is bonded in a trigonal planar geometry to two equivalent Co(1) and one Te(3) atom. In the eighth O site, O(6) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one Te(4) atom. is represented by the CIF file [CIF]
data_ZnCoTe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.303
_cell_length_b   6.950
_cell_length_c   11.889
_cell_angle_alpha   98.633
_cell_angle_beta   90.001
_cell_angle_gamma   112.426
_symmetry_Int_Tables_number   1
_cell_volume   399.701
_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
  Co  Co0  1  0.937  0.458  0.848  1.0
  Co  Co1  1  0.478  0.542  0.652  1.0
  O  O2  1  0.334  0.837  0.144  1.0
  O  O3  1  0.498  0.163  0.356  1.0
  O  O4  1  0.661  0.163  0.856  1.0
  O  O5  1  0.498  0.837  0.644  1.0
  O  O6  1  0.754  0.528  0.032  1.0
  O  O7  1  0.226  0.472  0.468  1.0
  O  O8  1  0.252  0.468  0.962  1.0
  O  O9  1  0.785  0.532  0.538  1.0
  O  O10  1  0.685  0.609  0.810  1.0
  O  O11  1  0.076  0.391  0.690  1.0
  O  O12  1  0.320  0.394  0.186  1.0
  O  O13  1  0.926  0.606  0.314  1.0
  O  O14  1  0.271  0.771  0.860  1.0
  O  O15  1  0.500  0.229  0.640  1.0
  O  O16  1  0.725  0.227  0.139  1.0
  O  O17  1  0.498  0.773  0.361  1.0
  Te  Te18  1  0.359  0.000  0.750  1.0
  Te  Te19  1  0.636  1.000  0.250  1.0
  Te  Te20  1  0.559  0.725  0.944  1.0
  Te  Te21  1  0.834  0.275  0.556  1.0
  Te  Te22  1  0.442  0.274  0.052  1.0
  Te  Te23  1  0.168  0.726  0.448  1.0
  Zn  Zn24  1  0.061  0.542  0.156  1.0
  Zn  Zn25  1  0.519  0.458  0.344  1.0
[/CIF]
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