The material described by Co2(GeTe)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Ge(1) and three equivalent Te(2) atoms to form corner-sharing CoGe3Te3 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the second Co site, Co(2) is bonded to one Ge(1), two equivalent Ge(2), one Te(2), and two equivalent Te(1) atoms to form corner-sharing CoGe3Te3 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), and two equivalent Te(1) atoms. In the second Ge site, Ge(2) is bonded in a 4-coordinate geometry to two equivalent Co(2) and two equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), and two equivalent Ge(2) atoms. In the second Te site, Te(1) is bonded in a 4-coordinate geometry to two equivalent Co(2) and two equivalent Ge(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2(GeTe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.711
_cell_length_b   8.711
_cell_length_c   8.711
_cell_angle_alpha   89.993
_cell_angle_beta   89.993
_cell_angle_gamma   89.993
_symmetry_Int_Tables_number   1
_cell_volume   660.892
_cell_formula_units_Z   4
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  0.245  0.245  0.245  1.0
  Co  Co1  1  0.755  0.755  0.755  1.0
  Co  Co2  1  0.745  0.249  0.748  1.0
  Co  Co3  1  0.249  0.748  0.745  1.0
  Co  Co4  1  0.748  0.745  0.249  1.0
  Co  Co5  1  0.255  0.751  0.252  1.0
  Co  Co6  1  0.751  0.252  0.255  1.0
  Co  Co7  1  0.252  0.255  0.751  1.0
  Ge  Ge8  1  0.320  0.996  0.166  1.0
  Ge  Ge9  1  0.996  0.166  0.320  1.0
  Ge  Ge10  1  0.166  0.320  0.996  1.0
  Ge  Ge11  1  0.680  0.004  0.834  1.0
  Ge  Ge12  1  0.004  0.834  0.680  1.0
  Ge  Ge13  1  0.834  0.680  0.004  1.0
  Ge  Ge14  1  0.820  0.501  0.333  1.0
  Ge  Ge15  1  0.501  0.333  0.820  1.0
  Ge  Ge16  1  0.333  0.820  0.501  1.0
  Ge  Ge17  1  0.180  0.499  0.667  1.0
  Ge  Ge18  1  0.499  0.667  0.180  1.0
  Ge  Ge19  1  0.667  0.180  0.499  1.0
  Te  Te20  1  0.344  0.999  0.852  1.0
  Te  Te21  1  0.999  0.852  0.344  1.0
  Te  Te22  1  0.852  0.344  0.999  1.0
  Te  Te23  1  0.656  0.001  0.148  1.0
  Te  Te24  1  0.001  0.148  0.656  1.0
  Te  Te25  1  0.148  0.656  0.001  1.0
  Te  Te26  1  0.845  0.505  0.647  1.0
  Te  Te27  1  0.505  0.647  0.845  1.0
  Te  Te28  1  0.647  0.845  0.505  1.0
  Te  Te29  1  0.155  0.495  0.353  1.0
  Te  Te30  1  0.495  0.353  0.155  1.0
  Te  Te31  1  0.353  0.155  0.495  1.0
[/CIF]
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The material described by Co2(GeTe)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Ge(1) and three equivalent Te(2) atoms to form corner-sharing CoGe3Te3 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the second Co site, Co(2) is bonded to one Ge(1), two equivalent Ge(2), one Te(2), and two equivalent Te(1) atoms to form corner-sharing CoGe3Te3 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), and two equivalent Te(1) atoms. In the second Ge site, Ge(2) is bonded in a 4-coordinate geometry to two equivalent Co(2) and two equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), and two equivalent Ge(2) atoms. In the second Te site, Te(1) is bonded in a 4-coordinate geometry to two equivalent Co(2) and two equivalent Ge(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2(GeTe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.711
_cell_length_b   8.711
_cell_length_c   8.711
_cell_angle_alpha   89.993
_cell_angle_beta   89.993
_cell_angle_gamma   89.993
_symmetry_Int_Tables_number   1
_cell_volume   660.892
_cell_formula_units_Z   4
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  0.245  0.245  0.245  1.0
  Co  Co1  1  0.755  0.755  0.755  1.0
  Co  Co2  1  0.745  0.249  0.748  1.0
  Co  Co3  1  0.249  0.748  0.745  1.0
  Co  Co4  1  0.748  0.745  0.249  1.0
  Co  Co5  1  0.255  0.751  0.252  1.0
  Co  Co6  1  0.751  0.252  0.255  1.0
  Co  Co7  1  0.252  0.255  0.751  1.0
  Ge  Ge8  1  0.320  0.996  0.166  1.0
  Ge  Ge9  1  0.996  0.166  0.320  1.0
  Ge  Ge10  1  0.166  0.320  0.996  1.0
  Ge  Ge11  1  0.680  0.004  0.834  1.0
  Ge  Ge12  1  0.004  0.834  0.680  1.0
  Ge  Ge13  1  0.834  0.680  0.004  1.0
  Ge  Ge14  1  0.820  0.501  0.333  1.0
  Ge  Ge15  1  0.501  0.333  0.820  1.0
  Ge  Ge16  1  0.333  0.820  0.501  1.0
  Ge  Ge17  1  0.180  0.499  0.667  1.0
  Ge  Ge18  1  0.499  0.667  0.180  1.0
  Ge  Ge19  1  0.667  0.180  0.499  1.0
  Te  Te20  1  0.344  0.999  0.852  1.0
  Te  Te21  1  0.999  0.852  0.344  1.0
  Te  Te22  1  0.852  0.344  0.999  1.0
  Te  Te23  1  0.656  0.001  0.148  1.0
  Te  Te24  1  0.001  0.148  0.656  1.0
  Te  Te25  1  0.148  0.656  0.001  1.0
  Te  Te26  1  0.845  0.505  0.647  1.0
  Te  Te27  1  0.505  0.647  0.845  1.0
  Te  Te28  1  0.647  0.845  0.505  1.0
  Te  Te29  1  0.155  0.495  0.353  1.0
  Te  Te30  1  0.495  0.353  0.155  1.0
  Te  Te31  1  0.353  0.155  0.495  1.0
[/CIF]
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