The material described by VCu12Sn(AsS8)2 is Stannite-derived structured and crystallizes in the tetragonal I-42m space group. V(1) is bonded to four equivalent S(3) atoms to form VS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with eight equivalent Cu(2)S4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form CuS4 tetrahedra that share  a cornercorner with one V(1)S4 tetrahedra,  a cornercorner with one Sn(1)S4 tetrahedra, corners with two equivalent As(1)S4 tetrahedra, and corners with eight equivalent Cu(2)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  a cornercorner with one V(1)S4 tetrahedra,  a cornercorner with one Sn(1)S4 tetrahedra, corners with two equivalent As(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Cu(2)S4 tetrahedra. Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with eight equivalent Cu(2)S4 tetrahedra. As(1) is bonded to four equivalent S(2) atoms to form AsS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with eight equivalent Cu(2)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Cu(1), two equivalent Cu(2), and one Sn(1) atom to form SCu3Sn tetrahedra that share corners with three equivalent S(1)Cu3Sn tetrahedra, corners with three equivalent S(3)VCu3 tetrahedra, and corners with six equivalent S(2)Cu3As tetrahedra. In the second S site, S(2) is bonded to one Cu(1), two equivalent Cu(2), and one As(1) atom to form SCu3As tetrahedra that share corners with three equivalent S(1)Cu3Sn tetrahedra, corners with three equivalent S(3)VCu3 tetrahedra, and corners with six equivalent S(2)Cu3As tetrahedra. In the third S site, S(3) is bonded to one V(1), one Cu(1), and two equivalent Cu(2) atoms to form SVCu3 tetrahedra that share corners with three equivalent S(1)Cu3Sn tetrahedra, corners with three equivalent S(3)VCu3 tetrahedra, and corners with six equivalent S(2)Cu3As tetrahedra. is represented by the CIF card [CIF]
data_VCu12Sn(AsS8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.195
_cell_length_b   9.195
_cell_length_c   9.195
_cell_angle_alpha   109.427
_cell_angle_beta   109.427
_cell_angle_gamma   109.559
_symmetry_Int_Tables_number   1
_cell_volume   598.510
_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
  V  V0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.250  0.250  0.498  1.0
  Cu  Cu2  1  0.752  0.002  0.252  1.0
  Cu  Cu3  1  0.002  0.752  0.252  1.0
  Cu  Cu4  1  0.249  0.750  0.000  1.0
  Cu  Cu5  1  0.251  0.998  0.750  1.0
  Cu  Cu6  1  0.500  0.248  0.250  1.0
  Cu  Cu7  1  0.751  0.751  0.502  1.0
  Cu  Cu8  1  0.749  0.500  0.748  1.0
  Cu  Cu9  1  0.500  0.749  0.748  1.0
  Cu  Cu10  1  0.750  0.249  0.000  1.0
  Cu  Cu11  1  0.248  0.500  0.250  1.0
  Cu  Cu12  1  0.998  0.251  0.750  1.0
  Sn  Sn13  1  0.500  0.500  0.000  1.0
  As  As14  1  0.500  0.000  0.500  1.0
  As  As15  1  0.000  0.500  0.500  1.0
  S  S16  1  0.231  0.231  0.732  1.0
  S  S17  1  0.753  0.000  0.501  1.0
  S  S18  1  0.000  0.753  0.501  1.0
  S  S19  1  0.501  0.769  0.000  1.0
  S  S20  1  0.501  1.000  0.752  1.0
  S  S21  1  0.749  0.247  0.248  1.0
  S  S22  1  0.499  0.499  0.268  1.0
  S  S23  1  0.499  0.251  0.499  1.0
  S  S24  1  0.251  0.499  0.499  1.0
  S  S25  1  0.769  0.501  0.000  1.0
  S  S26  1  0.247  0.749  0.248  1.0
  S  S27  1  1.000  0.501  0.752  1.0
  S  S28  1  1.000  1.000  0.240  1.0
  S  S29  1  0.240  0.000  0.000  1.0
  S  S30  1  0.760  0.760  0.760  1.0
  S  S31  1  0.000  0.240  0.000  1.0
[/CIF]
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The material described by VCu12Sn(AsS8)2 is Stannite-derived structured and crystallizes in the tetragonal I-42m space group. V(1) is bonded to four equivalent S(3) atoms to form VS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with eight equivalent Cu(2)S4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form CuS4 tetrahedra that share  a cornercorner with one V(1)S4 tetrahedra,  a cornercorner with one Sn(1)S4 tetrahedra, corners with two equivalent As(1)S4 tetrahedra, and corners with eight equivalent Cu(2)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  a cornercorner with one V(1)S4 tetrahedra,  a cornercorner with one Sn(1)S4 tetrahedra, corners with two equivalent As(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Cu(2)S4 tetrahedra. Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with eight equivalent Cu(2)S4 tetrahedra. As(1) is bonded to four equivalent S(2) atoms to form AsS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with eight equivalent Cu(2)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Cu(1), two equivalent Cu(2), and one Sn(1) atom to form SCu3Sn tetrahedra that share corners with three equivalent S(1)Cu3Sn tetrahedra, corners with three equivalent S(3)VCu3 tetrahedra, and corners with six equivalent S(2)Cu3As tetrahedra. In the second S site, S(2) is bonded to one Cu(1), two equivalent Cu(2), and one As(1) atom to form SCu3As tetrahedra that share corners with three equivalent S(1)Cu3Sn tetrahedra, corners with three equivalent S(3)VCu3 tetrahedra, and corners with six equivalent S(2)Cu3As tetrahedra. In the third S site, S(3) is bonded to one V(1), one Cu(1), and two equivalent Cu(2) atoms to form SVCu3 tetrahedra that share corners with three equivalent S(1)Cu3Sn tetrahedra, corners with three equivalent S(3)VCu3 tetrahedra, and corners with six equivalent S(2)Cu3As tetrahedra. is represented by the CIF card [CIF]
data_VCu12Sn(AsS8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.195
_cell_length_b   9.195
_cell_length_c   9.195
_cell_angle_alpha   109.427
_cell_angle_beta   109.427
_cell_angle_gamma   109.559
_symmetry_Int_Tables_number   1
_cell_volume   598.510
_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
  V  V0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.250  0.250  0.498  1.0
  Cu  Cu2  1  0.752  0.002  0.252  1.0
  Cu  Cu3  1  0.002  0.752  0.252  1.0
  Cu  Cu4  1  0.249  0.750  0.000  1.0
  Cu  Cu5  1  0.251  0.998  0.750  1.0
  Cu  Cu6  1  0.500  0.248  0.250  1.0
  Cu  Cu7  1  0.751  0.751  0.502  1.0
  Cu  Cu8  1  0.749  0.500  0.748  1.0
  Cu  Cu9  1  0.500  0.749  0.748  1.0
  Cu  Cu10  1  0.750  0.249  0.000  1.0
  Cu  Cu11  1  0.248  0.500  0.250  1.0
  Cu  Cu12  1  0.998  0.251  0.750  1.0
  Sn  Sn13  1  0.500  0.500  0.000  1.0
  As  As14  1  0.500  0.000  0.500  1.0
  As  As15  1  0.000  0.500  0.500  1.0
  S  S16  1  0.231  0.231  0.732  1.0
  S  S17  1  0.753  0.000  0.501  1.0
  S  S18  1  0.000  0.753  0.501  1.0
  S  S19  1  0.501  0.769  0.000  1.0
  S  S20  1  0.501  1.000  0.752  1.0
  S  S21  1  0.749  0.247  0.248  1.0
  S  S22  1  0.499  0.499  0.268  1.0
  S  S23  1  0.499  0.251  0.499  1.0
  S  S24  1  0.251  0.499  0.499  1.0
  S  S25  1  0.769  0.501  0.000  1.0
  S  S26  1  0.247  0.749  0.248  1.0
  S  S27  1  1.000  0.501  0.752  1.0
  S  S28  1  1.000  1.000  0.240  1.0
  S  S29  1  0.240  0.000  0.000  1.0
  S  S30  1  0.760  0.760  0.760  1.0
  S  S31  1  0.000  0.240  0.000  1.0
[/CIF]
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