The material described by Cu2SnS3 is Enargite-like structured and crystallizes in the orthorhombic Imm2 space group. Cu(1) is bonded to one S(2) and three equivalent S(1) atoms to form CuS4 tetrahedra that share corners with five equivalent Sn(1)S4 tetrahedra and corners with seven equivalent Cu(1)S4 tetrahedra. Sn(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form SnS4 tetrahedra that share corners with two equivalent Sn(1)S4 tetrahedra and corners with ten equivalent Cu(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded to two equivalent Cu(1) and two equivalent Sn(1) atoms to form SCu2Sn2 tetrahedra that share corners with two equivalent S(2)Cu2Sn2 tetrahedra and corners with ten equivalent S(1)Cu3Sn tetrahedra. In the second S site, S(1) is bonded to three equivalent Cu(1) and one Sn(1) atom to form SCu3Sn tetrahedra that share corners with five equivalent S(2)Cu2Sn2 tetrahedra and corners with seven equivalent S(1)Cu3Sn tetrahedra. is represented by the CIF card [CIF]
data_Cu2SnS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.633
_cell_length_b   6.633
_cell_length_c   6.633
_cell_angle_alpha   146.051
_cell_angle_beta   132.145
_cell_angle_gamma   59.964
_symmetry_Int_Tables_number   1
_cell_volume   119.704
_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
  Cu  Cu0  1  0.162  0.171  0.991  1.0
  Cu  Cu1  1  0.820  0.829  0.991  1.0
  Sn  Sn2  1  0.520  0.500  0.020  1.0
  S  S3  1  0.939  0.676  0.263  1.0
  S  S4  1  0.587  0.324  0.263  1.0
  S  S5  1  0.222  0.000  0.222  1.0
[/CIF]
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The material described by Cu2SnS3 is Enargite-like structured and crystallizes in the orthorhombic Imm2 space group. Cu(1) is bonded to one S(2) and three equivalent S(1) atoms to form CuS4 tetrahedra that share corners with five equivalent Sn(1)S4 tetrahedra and corners with seven equivalent Cu(1)S4 tetrahedra. Sn(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form SnS4 tetrahedra that share corners with two equivalent Sn(1)S4 tetrahedra and corners with ten equivalent Cu(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded to two equivalent Cu(1) and two equivalent Sn(1) atoms to form SCu2Sn2 tetrahedra that share corners with two equivalent S(2)Cu2Sn2 tetrahedra and corners with ten equivalent S(1)Cu3Sn tetrahedra. In the second S site, S(1) is bonded to three equivalent Cu(1) and one Sn(1) atom to form SCu3Sn tetrahedra that share corners with five equivalent S(2)Cu2Sn2 tetrahedra and corners with seven equivalent S(1)Cu3Sn tetrahedra. is represented by the CIF card [CIF]
data_Cu2SnS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.633
_cell_length_b   6.633
_cell_length_c   6.633
_cell_angle_alpha   146.051
_cell_angle_beta   132.145
_cell_angle_gamma   59.964
_symmetry_Int_Tables_number   1
_cell_volume   119.704
_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
  Cu  Cu0  1  0.162  0.171  0.991  1.0
  Cu  Cu1  1  0.820  0.829  0.991  1.0
  Sn  Sn2  1  0.520  0.500  0.020  1.0
  S  S3  1  0.939  0.676  0.263  1.0
  S  S4  1  0.587  0.324  0.263  1.0
  S  S5  1  0.222  0.000  0.222  1.0
[/CIF]
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