The crystal structure described by Co2(SnTe)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 one Sn(1), two equivalent Sn(2), one Te(1), and two equivalent Te(2) atoms to form corner-sharing CoSn3Te3 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the second Co site, Co(2) is bonded to three equivalent Sn(1) and three equivalent Te(1) atoms to form corner-sharing CoSn3Te3 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), and two equivalent Te(2) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent Sn(1) atoms. In the second Te site, Te(1) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), and two equivalent Sn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2(SnTe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.132
_cell_length_b   9.132
_cell_length_c   9.132
_cell_angle_alpha   90.067
_cell_angle_beta   90.067
_cell_angle_gamma   90.067
_symmetry_Int_Tables_number   1
_cell_volume   761.597
_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  0.248  0.244  0.745  1.0
  Co  Co1  1  0.745  0.248  0.244  1.0
  Co  Co2  1  0.244  0.745  0.248  1.0
  Co  Co3  1  0.752  0.756  0.255  1.0
  Co  Co4  1  0.255  0.752  0.756  1.0
  Co  Co5  1  0.756  0.255  0.752  1.0
  Co  Co6  1  0.748  0.748  0.748  1.0
  Co  Co7  1  0.252  0.252  0.252  1.0
  Sn  Sn8  1  0.835  0.680  0.003  1.0
  Sn  Sn9  1  0.003  0.835  0.680  1.0
  Sn  Sn10  1  0.680  0.003  0.835  1.0
  Sn  Sn11  1  0.165  0.320  0.997  1.0
  Sn  Sn12  1  0.997  0.165  0.320  1.0
  Sn  Sn13  1  0.320  0.997  0.165  1.0
  Sn  Sn14  1  0.666  0.180  0.499  1.0
  Sn  Sn15  1  0.499  0.666  0.180  1.0
  Sn  Sn16  1  0.180  0.499  0.666  1.0
  Sn  Sn17  1  0.334  0.820  0.501  1.0
  Sn  Sn18  1  0.501  0.334  0.820  1.0
  Sn  Sn19  1  0.820  0.501  0.334  1.0
  Te  Te20  1  0.345  0.160  0.496  1.0
  Te  Te21  1  0.496  0.345  0.160  1.0
  Te  Te22  1  0.160  0.496  0.345  1.0
  Te  Te23  1  0.655  0.840  0.504  1.0
  Te  Te24  1  0.504  0.655  0.840  1.0
  Te  Te25  1  0.840  0.504  0.655  1.0
  Te  Te26  1  0.155  0.661  0.999  1.0
  Te  Te27  1  0.999  0.155  0.661  1.0
  Te  Te28  1  0.661  0.999  0.155  1.0
  Te  Te29  1  0.845  0.339  0.001  1.0
  Te  Te30  1  0.001  0.845  0.339  1.0
  Te  Te31  1  0.339  0.001  0.845  1.0
[/CIF]
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The crystal structure described by Co2(SnTe)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 one Sn(1), two equivalent Sn(2), one Te(1), and two equivalent Te(2) atoms to form corner-sharing CoSn3Te3 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the second Co site, Co(2) is bonded to three equivalent Sn(1) and three equivalent Te(1) atoms to form corner-sharing CoSn3Te3 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), and two equivalent Te(2) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent Sn(1) atoms. In the second Te site, Te(1) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), and two equivalent Sn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2(SnTe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.132
_cell_length_b   9.132
_cell_length_c   9.132
_cell_angle_alpha   90.067
_cell_angle_beta   90.067
_cell_angle_gamma   90.067
_symmetry_Int_Tables_number   1
_cell_volume   761.597
_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  0.248  0.244  0.745  1.0
  Co  Co1  1  0.745  0.248  0.244  1.0
  Co  Co2  1  0.244  0.745  0.248  1.0
  Co  Co3  1  0.752  0.756  0.255  1.0
  Co  Co4  1  0.255  0.752  0.756  1.0
  Co  Co5  1  0.756  0.255  0.752  1.0
  Co  Co6  1  0.748  0.748  0.748  1.0
  Co  Co7  1  0.252  0.252  0.252  1.0
  Sn  Sn8  1  0.835  0.680  0.003  1.0
  Sn  Sn9  1  0.003  0.835  0.680  1.0
  Sn  Sn10  1  0.680  0.003  0.835  1.0
  Sn  Sn11  1  0.165  0.320  0.997  1.0
  Sn  Sn12  1  0.997  0.165  0.320  1.0
  Sn  Sn13  1  0.320  0.997  0.165  1.0
  Sn  Sn14  1  0.666  0.180  0.499  1.0
  Sn  Sn15  1  0.499  0.666  0.180  1.0
  Sn  Sn16  1  0.180  0.499  0.666  1.0
  Sn  Sn17  1  0.334  0.820  0.501  1.0
  Sn  Sn18  1  0.501  0.334  0.820  1.0
  Sn  Sn19  1  0.820  0.501  0.334  1.0
  Te  Te20  1  0.345  0.160  0.496  1.0
  Te  Te21  1  0.496  0.345  0.160  1.0
  Te  Te22  1  0.160  0.496  0.345  1.0
  Te  Te23  1  0.655  0.840  0.504  1.0
  Te  Te24  1  0.504  0.655  0.840  1.0
  Te  Te25  1  0.840  0.504  0.655  1.0
  Te  Te26  1  0.155  0.661  0.999  1.0
  Te  Te27  1  0.999  0.155  0.661  1.0
  Te  Te28  1  0.661  0.999  0.155  1.0
  Te  Te29  1  0.845  0.339  0.001  1.0
  Te  Te30  1  0.001  0.845  0.339  1.0
  Te  Te31  1  0.339  0.001  0.845  1.0
[/CIF]
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