The compound described by CoBiTe is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Bi(1) and four equivalent Te(1) atoms to form CoBi2Te4 octahedra that share corners with eight equivalent Co(2)Bi4Te2 octahedra and edges with two equivalent Co(1)Bi2Te4 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the second Co site, Co(2) is bonded to four equivalent Bi(1) and two equivalent Te(1) atoms to form CoBi4Te2 octahedra that share corners with eight equivalent Co(1)Bi2Te4 octahedra and edges with two equivalent Co(2)Bi4Te2 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. Bi(1) is bonded in a 3-coordinate geometry to one Co(1) and two equivalent Co(2) atoms. Te(1) is bonded in a 3-coordinate geometry to one Co(2) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_CoBiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.839
_cell_length_b   5.495
_cell_length_c   6.419
_cell_angle_alpha   93.280
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   135.181
_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  0.506  0.500  0.500  1.0
  Co  Co1  1  0.007  0.000  0.000  1.0
  Bi  Bi2  1  0.507  0.724  0.146  1.0
  Bi  Bi3  1  0.507  0.276  0.854  1.0
  Te  Te4  1  0.007  0.771  0.644  1.0
  Te  Te5  1  0.007  0.229  0.356  1.0
[/CIF]
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The compound described by CoBiTe is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Bi(1) and four equivalent Te(1) atoms to form CoBi2Te4 octahedra that share corners with eight equivalent Co(2)Bi4Te2 octahedra and edges with two equivalent Co(1)Bi2Te4 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the second Co site, Co(2) is bonded to four equivalent Bi(1) and two equivalent Te(1) atoms to form CoBi4Te2 octahedra that share corners with eight equivalent Co(1)Bi2Te4 octahedra and edges with two equivalent Co(2)Bi4Te2 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. Bi(1) is bonded in a 3-coordinate geometry to one Co(1) and two equivalent Co(2) atoms. Te(1) is bonded in a 3-coordinate geometry to one Co(2) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_CoBiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.839
_cell_length_b   5.495
_cell_length_c   6.419
_cell_angle_alpha   93.280
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   135.181
_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  0.506  0.500  0.500  1.0
  Co  Co1  1  0.007  0.000  0.000  1.0
  Bi  Bi2  1  0.507  0.724  0.146  1.0
  Bi  Bi3  1  0.507  0.276  0.854  1.0
  Te  Te4  1  0.007  0.771  0.644  1.0
  Te  Te5  1  0.007  0.229  0.356  1.0
[/CIF]
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