The material structure described by Cu2CoSnS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Co(1) is bonded to four equivalent S(1) atoms to form CoS4 tetrahedra that share corners with four equivalent Sn(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Co(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Co(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. S(1) is bonded to one Co(1), two equivalent Cu(1), and one Sn(1) atom to form corner-sharing SCoCu2Sn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.583
_cell_length_b   6.583
_cell_length_c   6.583
_cell_angle_alpha   131.431
_cell_angle_beta   131.431
_cell_angle_gamma   71.129
_symmetry_Int_Tables_number   1
_cell_volume   156.974
_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  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.638  0.638  0.538  1.0
  S  S5  1  0.900  0.362  0.000  1.0
  S  S6  1  0.100  0.100  0.462  1.0
  S  S7  1  0.362  0.900  0.000  1.0
[/CIF]
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The material structure described by Cu2CoSnS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Co(1) is bonded to four equivalent S(1) atoms to form CoS4 tetrahedra that share corners with four equivalent Sn(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Co(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Co(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. S(1) is bonded to one Co(1), two equivalent Cu(1), and one Sn(1) atom to form corner-sharing SCoCu2Sn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.583
_cell_length_b   6.583
_cell_length_c   6.583
_cell_angle_alpha   131.431
_cell_angle_beta   131.431
_cell_angle_gamma   71.129
_symmetry_Int_Tables_number   1
_cell_volume   156.974
_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  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.638  0.638  0.538  1.0
  S  S5  1  0.900  0.362  0.000  1.0
  S  S6  1  0.100  0.100  0.462  1.0
  S  S7  1  0.362  0.900  0.000  1.0
[/CIF]
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