The structure described by Cu2SnTe3 is Enargite-like structured and crystallizes in the orthorhombic Fdd2 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Te(1), one Te(2), and two equivalent Te(3) atoms to form CuTe4 tetrahedra that share corners with two equivalent Cu(1)Te4 tetrahedra, corners with two equivalent Cu(2)Te4 tetrahedra, corners with three equivalent Cu(3)Te4 tetrahedra, and corners with five equivalent Sn(1)Te4 tetrahedra. In the second Cu site, Cu(2) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form CuTe4 tetrahedra that share corners with two equivalent Cu(3)Te4 tetrahedra, corners with four equivalent Cu(1)Te4 tetrahedra, and corners with six equivalent Sn(1)Te4 tetrahedra. In the third Cu site, Cu(3) is bonded to two equivalent Te(2) and two equivalent Te(3) atoms to form CuTe4 tetrahedra that share corners with two equivalent Cu(2)Te4 tetrahedra, corners with four equivalent Sn(1)Te4 tetrahedra, and corners with six equivalent Cu(1)Te4 tetrahedra. Sn(1) is bonded to one Te(2), one Te(3), and two equivalent Te(1) atoms to form SnTe4 tetrahedra that share corners with two equivalent Cu(3)Te4 tetrahedra, corners with two equivalent Sn(1)Te4 tetrahedra, corners with three equivalent Cu(2)Te4 tetrahedra, and corners with five equivalent Cu(1)Te4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cu(1), one Cu(2), and two equivalent Sn(1) atoms to form TeCu2Sn2 tetrahedra that share corners with three equivalent Te(1)Cu2Sn2 tetrahedra, corners with four equivalent Te(3)Cu3Sn tetrahedra, and corners with five equivalent Te(2)Cu3Sn tetrahedra. In the second Te site, Te(2) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Sn(1) atom to form TeCu3Sn tetrahedra that share corners with two equivalent Te(2)Cu3Sn tetrahedra, corners with five equivalent Te(1)Cu2Sn2 tetrahedra, and corners with five equivalent Te(3)Cu3Sn tetrahedra. In the third Te site, Te(3) is bonded to one Cu(3), two equivalent Cu(1), and one Sn(1) atom to form TeCu3Sn tetrahedra that share corners with three equivalent Te(3)Cu3Sn tetrahedra, corners with four equivalent Te(1)Cu2Sn2 tetrahedra, and corners with five equivalent Te(2)Cu3Sn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2SnTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.511
_cell_length_b   13.850
_cell_length_c   7.577
_cell_angle_alpha   79.384
_cell_angle_beta   69.735
_cell_angle_gamma   30.881
_symmetry_Int_Tables_number   1
_cell_volume   712.733
_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
  Cu  Cu0  1  0.588  0.246  0.239  1.0
  Cu  Cu1  1  0.924  0.576  0.924  1.0
  Cu  Cu2  1  0.239  0.927  0.588  1.0
  Cu  Cu3  1  0.004  0.662  0.323  1.0
  Cu  Cu4  1  0.323  0.011  0.004  1.0
  Cu  Cu5  1  0.674  0.326  0.674  1.0
  Cu  Cu6  1  0.416  0.084  0.416  1.0
  Cu  Cu7  1  0.166  0.834  0.166  1.0
  Sn  Sn8  1  0.758  0.404  0.076  1.0
  Sn  Sn9  1  0.076  0.762  0.758  1.0
  Sn  Sn10  1  0.488  0.174  0.846  1.0
  Sn  Sn11  1  0.846  0.492  0.488  1.0
  Te  Te12  1  0.693  0.654  0.887  1.0
  Te  Te13  1  0.040  0.972  0.523  1.0
  Te  Te14  1  0.366  0.301  0.240  1.0
  Te  Te15  1  0.240  0.093  0.366  1.0
  Te  Te16  1  0.523  0.465  0.040  1.0
  Te  Te17  1  0.887  0.766  0.693  1.0
  Te  Te18  1  0.278  0.210  0.785  1.0
  Te  Te19  1  0.596  0.557  0.484  1.0
  Te  Te20  1  0.949  0.884  0.157  1.0
  Te  Te21  1  0.484  0.363  0.596  1.0
  Te  Te22  1  0.785  0.727  0.278  1.0
  Te  Te23  1  0.157  0.010  0.949  1.0
[/CIF]
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The structure described by Cu2SnTe3 is Enargite-like structured and crystallizes in the orthorhombic Fdd2 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Te(1), one Te(2), and two equivalent Te(3) atoms to form CuTe4 tetrahedra that share corners with two equivalent Cu(1)Te4 tetrahedra, corners with two equivalent Cu(2)Te4 tetrahedra, corners with three equivalent Cu(3)Te4 tetrahedra, and corners with five equivalent Sn(1)Te4 tetrahedra. In the second Cu site, Cu(2) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form CuTe4 tetrahedra that share corners with two equivalent Cu(3)Te4 tetrahedra, corners with four equivalent Cu(1)Te4 tetrahedra, and corners with six equivalent Sn(1)Te4 tetrahedra. In the third Cu site, Cu(3) is bonded to two equivalent Te(2) and two equivalent Te(3) atoms to form CuTe4 tetrahedra that share corners with two equivalent Cu(2)Te4 tetrahedra, corners with four equivalent Sn(1)Te4 tetrahedra, and corners with six equivalent Cu(1)Te4 tetrahedra. Sn(1) is bonded to one Te(2), one Te(3), and two equivalent Te(1) atoms to form SnTe4 tetrahedra that share corners with two equivalent Cu(3)Te4 tetrahedra, corners with two equivalent Sn(1)Te4 tetrahedra, corners with three equivalent Cu(2)Te4 tetrahedra, and corners with five equivalent Cu(1)Te4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cu(1), one Cu(2), and two equivalent Sn(1) atoms to form TeCu2Sn2 tetrahedra that share corners with three equivalent Te(1)Cu2Sn2 tetrahedra, corners with four equivalent Te(3)Cu3Sn tetrahedra, and corners with five equivalent Te(2)Cu3Sn tetrahedra. In the second Te site, Te(2) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Sn(1) atom to form TeCu3Sn tetrahedra that share corners with two equivalent Te(2)Cu3Sn tetrahedra, corners with five equivalent Te(1)Cu2Sn2 tetrahedra, and corners with five equivalent Te(3)Cu3Sn tetrahedra. In the third Te site, Te(3) is bonded to one Cu(3), two equivalent Cu(1), and one Sn(1) atom to form TeCu3Sn tetrahedra that share corners with three equivalent Te(3)Cu3Sn tetrahedra, corners with four equivalent Te(1)Cu2Sn2 tetrahedra, and corners with five equivalent Te(2)Cu3Sn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2SnTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.511
_cell_length_b   13.850
_cell_length_c   7.577
_cell_angle_alpha   79.384
_cell_angle_beta   69.735
_cell_angle_gamma   30.881
_symmetry_Int_Tables_number   1
_cell_volume   712.733
_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
  Cu  Cu0  1  0.588  0.246  0.239  1.0
  Cu  Cu1  1  0.924  0.576  0.924  1.0
  Cu  Cu2  1  0.239  0.927  0.588  1.0
  Cu  Cu3  1  0.004  0.662  0.323  1.0
  Cu  Cu4  1  0.323  0.011  0.004  1.0
  Cu  Cu5  1  0.674  0.326  0.674  1.0
  Cu  Cu6  1  0.416  0.084  0.416  1.0
  Cu  Cu7  1  0.166  0.834  0.166  1.0
  Sn  Sn8  1  0.758  0.404  0.076  1.0
  Sn  Sn9  1  0.076  0.762  0.758  1.0
  Sn  Sn10  1  0.488  0.174  0.846  1.0
  Sn  Sn11  1  0.846  0.492  0.488  1.0
  Te  Te12  1  0.693  0.654  0.887  1.0
  Te  Te13  1  0.040  0.972  0.523  1.0
  Te  Te14  1  0.366  0.301  0.240  1.0
  Te  Te15  1  0.240  0.093  0.366  1.0
  Te  Te16  1  0.523  0.465  0.040  1.0
  Te  Te17  1  0.887  0.766  0.693  1.0
  Te  Te18  1  0.278  0.210  0.785  1.0
  Te  Te19  1  0.596  0.557  0.484  1.0
  Te  Te20  1  0.949  0.884  0.157  1.0
  Te  Te21  1  0.484  0.363  0.596  1.0
  Te  Te22  1  0.785  0.727  0.278  1.0
  Te  Te23  1  0.157  0.010  0.949  1.0
[/CIF]
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