The compound described by CoNiTe4 is pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. Co(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form CoTe6 octahedra that share corners with four equivalent Co(1)Te6 octahedra and corners with eight equivalent Ni(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. Ni(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form NiTe6 octahedra that share corners with four equivalent Ni(1)Te6 octahedra and corners with eight equivalent Co(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 61-63°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted trigonal planar geometry to one Co(1) and two equivalent Ni(1) atoms. In the second Te site, Te(2) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one Ni(1) atom. is represented by the CIF file [CIF]
data_CoNiTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.353
_cell_length_b   6.348
_cell_length_c   6.359
_cell_angle_alpha   89.158
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.398
_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  0.000  0.500  0.500  1.0
  Co  Co1  1  0.500  0.000  0.500  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.000  1.0
  Te  Te4  1  0.633  0.132  0.140  1.0
  Te  Te5  1  0.133  0.368  0.860  1.0
  Te  Te6  1  0.363  0.639  0.370  1.0
  Te  Te7  1  0.863  0.861  0.630  1.0
  Te  Te8  1  0.367  0.868  0.860  1.0
  Te  Te9  1  0.867  0.632  0.140  1.0
  Te  Te10  1  0.637  0.361  0.630  1.0
  Te  Te11  1  0.137  0.139  0.370  1.0
[/CIF]
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The compound described by CoNiTe4 is pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. Co(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form CoTe6 octahedra that share corners with four equivalent Co(1)Te6 octahedra and corners with eight equivalent Ni(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. Ni(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form NiTe6 octahedra that share corners with four equivalent Ni(1)Te6 octahedra and corners with eight equivalent Co(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 61-63°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted trigonal planar geometry to one Co(1) and two equivalent Ni(1) atoms. In the second Te site, Te(2) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one Ni(1) atom. is represented by the CIF file [CIF]
data_CoNiTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.353
_cell_length_b   6.348
_cell_length_c   6.359
_cell_angle_alpha   89.158
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.398
_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  0.000  0.500  0.500  1.0
  Co  Co1  1  0.500  0.000  0.500  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.000  1.0
  Te  Te4  1  0.633  0.132  0.140  1.0
  Te  Te5  1  0.133  0.368  0.860  1.0
  Te  Te6  1  0.363  0.639  0.370  1.0
  Te  Te7  1  0.863  0.861  0.630  1.0
  Te  Te8  1  0.367  0.868  0.860  1.0
  Te  Te9  1  0.867  0.632  0.140  1.0
  Te  Te10  1  0.637  0.361  0.630  1.0
  Te  Te11  1  0.137  0.139  0.370  1.0
[/CIF]
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