The compound described by Co2(SnSe)3 is Sylvanite-like structured and 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 Se(2), and two equivalent Se(1) atoms to form CoSn3Se3 octahedra that share corners with two equivalent Co(2)Sn3Se3 octahedra, corners with four equivalent Co(1)Sn3Se3 octahedra, and corners with four equivalent Se(2)Co2Sn2 tetrahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the second Co site, Co(2) is bonded to three equivalent Sn(1) and three equivalent Se(2) atoms to form corner-sharing CoSn3Se3 octahedra. The corner-sharing octahedral tilt angles range from 51-56°. 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 Se(1) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent Sn(1) atoms. In the second Se site, Se(2) is bonded to one Co(1), one Co(2), and two equivalent Sn(2) atoms to form distorted SeCo2Sn2 tetrahedra that share corners with four equivalent Co(1)Sn3Se3 octahedra, corners with two equivalent Se(2)Co2Sn2 tetrahedra, and  an edgeedge with one Se(2)Co2Sn2 tetrahedra. The corner-sharing octahedral tilt angles range from 68-74°. is represented by the CIF card [CIF]
data_Co2(SnSe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.726
_cell_length_b   8.726
_cell_length_c   8.726
_cell_angle_alpha   90.115
_cell_angle_beta   90.115
_cell_angle_gamma   90.115
_symmetry_Int_Tables_number   1
_cell_volume   664.380
_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  0.259  0.761  0.755  1.0
  Co  Co1  1  0.245  0.741  0.239  1.0
  Co  Co2  1  0.761  0.755  0.259  1.0
  Co  Co3  1  0.239  0.245  0.741  1.0
  Co  Co4  1  0.257  0.257  0.257  1.0
  Co  Co5  1  0.743  0.743  0.743  1.0
  Co  Co6  1  0.755  0.259  0.761  1.0
  Co  Co7  1  0.741  0.239  0.245  1.0
  Sn  Sn8  1  0.673  0.844  0.001  1.0
  Sn  Sn9  1  0.500  0.828  0.344  1.0
  Sn  Sn10  1  0.327  0.156  0.999  1.0
  Sn  Sn11  1  0.172  0.656  0.500  1.0
  Sn  Sn12  1  0.001  0.673  0.844  1.0
  Sn  Sn13  1  0.999  0.327  0.156  1.0
  Sn  Sn14  1  0.828  0.344  0.500  1.0
  Sn  Sn15  1  0.500  0.172  0.656  1.0
  Sn  Sn16  1  0.344  0.500  0.828  1.0
  Sn  Sn17  1  0.156  0.999  0.327  1.0
  Sn  Sn18  1  0.656  0.500  0.172  1.0
  Sn  Sn19  1  0.844  0.001  0.673  1.0
  Se  Se20  1  0.999  0.660  0.155  1.0
  Se  Se21  1  0.340  0.845  0.001  1.0
  Se  Se22  1  0.155  0.999  0.660  1.0
  Se  Se23  1  0.346  0.497  0.159  1.0
  Se  Se24  1  0.497  0.159  0.346  1.0
  Se  Se25  1  0.503  0.841  0.654  1.0
  Se  Se26  1  0.654  0.503  0.841  1.0
  Se  Se27  1  0.841  0.654  0.503  1.0
  Se  Se28  1  0.001  0.340  0.845  1.0
  Se  Se29  1  0.660  0.155  0.999  1.0
  Se  Se30  1  0.159  0.346  0.497  1.0
  Se  Se31  1  0.845  0.001  0.340  1.0
[/CIF]
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The compound described by Co2(SnSe)3 is Sylvanite-like structured and 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 Se(2), and two equivalent Se(1) atoms to form CoSn3Se3 octahedra that share corners with two equivalent Co(2)Sn3Se3 octahedra, corners with four equivalent Co(1)Sn3Se3 octahedra, and corners with four equivalent Se(2)Co2Sn2 tetrahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the second Co site, Co(2) is bonded to three equivalent Sn(1) and three equivalent Se(2) atoms to form corner-sharing CoSn3Se3 octahedra. The corner-sharing octahedral tilt angles range from 51-56°. 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 Se(1) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent Sn(1) atoms. In the second Se site, Se(2) is bonded to one Co(1), one Co(2), and two equivalent Sn(2) atoms to form distorted SeCo2Sn2 tetrahedra that share corners with four equivalent Co(1)Sn3Se3 octahedra, corners with two equivalent Se(2)Co2Sn2 tetrahedra, and  an edgeedge with one Se(2)Co2Sn2 tetrahedra. The corner-sharing octahedral tilt angles range from 68-74°. is represented by the CIF card [CIF]
data_Co2(SnSe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.726
_cell_length_b   8.726
_cell_length_c   8.726
_cell_angle_alpha   90.115
_cell_angle_beta   90.115
_cell_angle_gamma   90.115
_symmetry_Int_Tables_number   1
_cell_volume   664.380
_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  0.259  0.761  0.755  1.0
  Co  Co1  1  0.245  0.741  0.239  1.0
  Co  Co2  1  0.761  0.755  0.259  1.0
  Co  Co3  1  0.239  0.245  0.741  1.0
  Co  Co4  1  0.257  0.257  0.257  1.0
  Co  Co5  1  0.743  0.743  0.743  1.0
  Co  Co6  1  0.755  0.259  0.761  1.0
  Co  Co7  1  0.741  0.239  0.245  1.0
  Sn  Sn8  1  0.673  0.844  0.001  1.0
  Sn  Sn9  1  0.500  0.828  0.344  1.0
  Sn  Sn10  1  0.327  0.156  0.999  1.0
  Sn  Sn11  1  0.172  0.656  0.500  1.0
  Sn  Sn12  1  0.001  0.673  0.844  1.0
  Sn  Sn13  1  0.999  0.327  0.156  1.0
  Sn  Sn14  1  0.828  0.344  0.500  1.0
  Sn  Sn15  1  0.500  0.172  0.656  1.0
  Sn  Sn16  1  0.344  0.500  0.828  1.0
  Sn  Sn17  1  0.156  0.999  0.327  1.0
  Sn  Sn18  1  0.656  0.500  0.172  1.0
  Sn  Sn19  1  0.844  0.001  0.673  1.0
  Se  Se20  1  0.999  0.660  0.155  1.0
  Se  Se21  1  0.340  0.845  0.001  1.0
  Se  Se22  1  0.155  0.999  0.660  1.0
  Se  Se23  1  0.346  0.497  0.159  1.0
  Se  Se24  1  0.497  0.159  0.346  1.0
  Se  Se25  1  0.503  0.841  0.654  1.0
  Se  Se26  1  0.654  0.503  0.841  1.0
  Se  Se27  1  0.841  0.654  0.503  1.0
  Se  Se28  1  0.001  0.340  0.845  1.0
  Se  Se29  1  0.660  0.155  0.999  1.0
  Se  Se30  1  0.159  0.346  0.497  1.0
  Se  Se31  1  0.845  0.001  0.340  1.0
[/CIF]
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