The compound described by Cu2CoSnSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Co(1) is bonded to four equivalent Se(1) atoms to form CoSe4 tetrahedra that share corners with four equivalent Sn(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Co(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to four equivalent Se(1) atoms to form SnSe4 tetrahedra that share corners with four equivalent Co(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded to one Co(1), two equivalent Cu(1), and one Sn(1) atom to form corner-sharing SeCoCu2Sn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoCu2SnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.704
_cell_length_b   5.704
_cell_length_c   6.937
_cell_angle_alpha   114.274
_cell_angle_beta   114.274
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   183.622
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.750  0.250  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
  Se  Se4  1  0.904  0.361  0.265  1.0
  Se  Se5  1  0.361  0.904  0.265  1.0
  Se  Se6  1  0.639  0.639  0.735  1.0
  Se  Se7  1  0.096  0.096  0.735  1.0
[/CIF]
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The compound described by Cu2CoSnSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Co(1) is bonded to four equivalent Se(1) atoms to form CoSe4 tetrahedra that share corners with four equivalent Sn(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Co(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to four equivalent Se(1) atoms to form SnSe4 tetrahedra that share corners with four equivalent Co(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded to one Co(1), two equivalent Cu(1), and one Sn(1) atom to form corner-sharing SeCoCu2Sn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoCu2SnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.704
_cell_length_b   5.704
_cell_length_c   6.937
_cell_angle_alpha   114.274
_cell_angle_beta   114.274
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   183.622
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.750  0.250  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
  Se  Se4  1  0.904  0.361  0.265  1.0
  Se  Se5  1  0.361  0.904  0.265  1.0
  Se  Se6  1  0.639  0.639  0.735  1.0
  Se  Se7  1  0.096  0.096  0.735  1.0
[/CIF]
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