The material structure described by Cu2SnS3 is Enargite-like structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra, corners with five equivalent Cu(2)S4 tetrahedra, and corners with five equivalent Sn(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(2)S4 tetrahedra, corners with five equivalent Cu(1)S4 tetrahedra, and corners with five equivalent Sn(1)S4 tetrahedra. Sn(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form SnS4 tetrahedra that share corners with two equivalent Sn(1)S4 tetrahedra, corners with five equivalent Cu(1)S4 tetrahedra, and corners with five equivalent Cu(2)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Cu(1), one Cu(2), and two equivalent Sn(1) atoms to form SCu2Sn2 tetrahedra that share corners with two equivalent S(1)Cu2Sn2 tetrahedra, corners with five equivalent S(2)Cu3Sn tetrahedra, and corners with five equivalent S(3)Cu3Sn tetrahedra. In the second S site, S(2) is bonded to one Cu(1), two equivalent Cu(2), and one Sn(1) atom to form SCu3Sn tetrahedra that share corners with two equivalent S(2)Cu3Sn tetrahedra, corners with five equivalent S(1)Cu2Sn2 tetrahedra, and corners with five equivalent S(3)Cu3Sn tetrahedra. In the third S site, S(3) is bonded to one Cu(2), two equivalent Cu(1), and one Sn(1) atom to form SCu3Sn tetrahedra that share corners with two equivalent S(3)Cu3Sn tetrahedra, corners with five equivalent S(1)Cu2Sn2 tetrahedra, and corners with five equivalent S(2)Cu3Sn tetrahedra. is represented by the CIF file [CIF]
data_Cu2SnS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.643
_cell_length_b   6.641
_cell_length_c   6.664
_cell_angle_alpha   80.298
_cell_angle_beta   70.311
_cell_angle_gamma   59.987
_symmetry_Int_Tables_number   1
_cell_volume   239.693
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.439  0.164  0.989  1.0
  Cu  Cu1  1  0.265  0.495  0.488  1.0
  Cu  Cu2  1  0.604  0.836  0.489  1.0
  Cu  Cu3  1  0.759  0.505  0.988  1.0
  Sn  Sn4  1  0.908  0.185  0.504  1.0
  Sn  Sn5  1  0.094  0.815  0.004  1.0
  S  S6  1  0.242  0.819  0.604  1.0
  S  S7  1  0.060  0.181  0.104  1.0
  S  S8  1  0.406  0.479  0.123  1.0
  S  S9  1  0.886  0.521  0.623  1.0
  S  S10  1  0.700  0.831  0.123  1.0
  S  S11  1  0.532  0.169  0.623  1.0
[/CIF]
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The material structure described by Cu2SnS3 is Enargite-like structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra, corners with five equivalent Cu(2)S4 tetrahedra, and corners with five equivalent Sn(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(2)S4 tetrahedra, corners with five equivalent Cu(1)S4 tetrahedra, and corners with five equivalent Sn(1)S4 tetrahedra. Sn(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form SnS4 tetrahedra that share corners with two equivalent Sn(1)S4 tetrahedra, corners with five equivalent Cu(1)S4 tetrahedra, and corners with five equivalent Cu(2)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Cu(1), one Cu(2), and two equivalent Sn(1) atoms to form SCu2Sn2 tetrahedra that share corners with two equivalent S(1)Cu2Sn2 tetrahedra, corners with five equivalent S(2)Cu3Sn tetrahedra, and corners with five equivalent S(3)Cu3Sn tetrahedra. In the second S site, S(2) is bonded to one Cu(1), two equivalent Cu(2), and one Sn(1) atom to form SCu3Sn tetrahedra that share corners with two equivalent S(2)Cu3Sn tetrahedra, corners with five equivalent S(1)Cu2Sn2 tetrahedra, and corners with five equivalent S(3)Cu3Sn tetrahedra. In the third S site, S(3) is bonded to one Cu(2), two equivalent Cu(1), and one Sn(1) atom to form SCu3Sn tetrahedra that share corners with two equivalent S(3)Cu3Sn tetrahedra, corners with five equivalent S(1)Cu2Sn2 tetrahedra, and corners with five equivalent S(2)Cu3Sn tetrahedra. is represented by the CIF file [CIF]
data_Cu2SnS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.643
_cell_length_b   6.641
_cell_length_c   6.664
_cell_angle_alpha   80.298
_cell_angle_beta   70.311
_cell_angle_gamma   59.987
_symmetry_Int_Tables_number   1
_cell_volume   239.693
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.439  0.164  0.989  1.0
  Cu  Cu1  1  0.265  0.495  0.488  1.0
  Cu  Cu2  1  0.604  0.836  0.489  1.0
  Cu  Cu3  1  0.759  0.505  0.988  1.0
  Sn  Sn4  1  0.908  0.185  0.504  1.0
  Sn  Sn5  1  0.094  0.815  0.004  1.0
  S  S6  1  0.242  0.819  0.604  1.0
  S  S7  1  0.060  0.181  0.104  1.0
  S  S8  1  0.406  0.479  0.123  1.0
  S  S9  1  0.886  0.521  0.623  1.0
  S  S10  1  0.700  0.831  0.123  1.0
  S  S11  1  0.532  0.169  0.623  1.0
[/CIF]
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