The material structure described by AgCuIn2(SnS4)2 is Spinel-derived structured and crystallizes in the orthorhombic Imm2 space group. Ag(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form AgS4 tetrahedra that share corners with six equivalent In(1)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. Cu(1) is bonded to two equivalent S(3) and two equivalent S(4) atoms to form CuS4 tetrahedra that share corners with six equivalent In(1)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form InS6 octahedra that share corners with three equivalent Ag(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, edges with two equivalent In(1)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. Sn(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form SnS6 octahedra that share corners with three equivalent Ag(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent In(1)S6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Ag(1), one In(1), and two equivalent Sn(1) atoms to form distorted SInAgSn2 trigonal pyramids that share  a cornercorner with one S(1)InAgSn2 trigonal pyramid, corners with two equivalent S(2)In2AgSn trigonal pyramids,  an edgeedge with one S(1)InAgSn2 trigonal pyramid, and edges with two equivalent S(2)In2AgSn trigonal pyramids. In the second S site, S(2) is bonded to one Ag(1), two equivalent In(1), and one Sn(1) atom to form distorted SIn2AgSn trigonal pyramids that share  a cornercorner with one S(2)In2AgSn trigonal pyramid, corners with two equivalent S(1)InAgSn2 trigonal pyramids,  an edgeedge with one S(2)In2AgSn trigonal pyramid, and edges with two equivalent S(1)InAgSn2 trigonal pyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Cu(1), one In(1), and two equivalent Sn(1) atoms. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), two equivalent In(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_In2CuAg(SnS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.609
_cell_length_b   7.609
_cell_length_c   7.609
_cell_angle_alpha   119.983
_cell_angle_beta   119.839
_cell_angle_gamma   90.154
_symmetry_Int_Tables_number   1
_cell_volume   311.966
_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
  In  In0  1  0.749  0.500  0.249  1.0
  In  In1  1  0.251  0.500  0.751  1.0
  Cu  Cu2  1  0.622  0.122  0.500  1.0
  Ag  Ag3  1  0.877  0.877  0.000  1.0
  Sn  Sn4  1  0.250  0.500  0.250  1.0
  Sn  Sn5  1  0.250  0.000  0.750  1.0
  S  S6  1  0.477  0.745  0.732  1.0
  S  S7  1  0.013  0.745  0.268  1.0
  S  S8  1  0.012  0.746  0.734  1.0
  S  S9  1  0.012  0.277  0.266  1.0
  S  S10  1  0.007  0.250  0.757  1.0
  S  S11  1  0.493  0.250  0.243  1.0
  S  S12  1  0.494  0.249  0.755  1.0
  S  S13  1  0.494  0.739  0.245  1.0
[/CIF]
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The material structure described by AgCuIn2(SnS4)2 is Spinel-derived structured and crystallizes in the orthorhombic Imm2 space group. Ag(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form AgS4 tetrahedra that share corners with six equivalent In(1)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. Cu(1) is bonded to two equivalent S(3) and two equivalent S(4) atoms to form CuS4 tetrahedra that share corners with six equivalent In(1)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form InS6 octahedra that share corners with three equivalent Ag(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, edges with two equivalent In(1)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. Sn(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form SnS6 octahedra that share corners with three equivalent Ag(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent In(1)S6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Ag(1), one In(1), and two equivalent Sn(1) atoms to form distorted SInAgSn2 trigonal pyramids that share  a cornercorner with one S(1)InAgSn2 trigonal pyramid, corners with two equivalent S(2)In2AgSn trigonal pyramids,  an edgeedge with one S(1)InAgSn2 trigonal pyramid, and edges with two equivalent S(2)In2AgSn trigonal pyramids. In the second S site, S(2) is bonded to one Ag(1), two equivalent In(1), and one Sn(1) atom to form distorted SIn2AgSn trigonal pyramids that share  a cornercorner with one S(2)In2AgSn trigonal pyramid, corners with two equivalent S(1)InAgSn2 trigonal pyramids,  an edgeedge with one S(2)In2AgSn trigonal pyramid, and edges with two equivalent S(1)InAgSn2 trigonal pyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Cu(1), one In(1), and two equivalent Sn(1) atoms. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), two equivalent In(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_In2CuAg(SnS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.609
_cell_length_b   7.609
_cell_length_c   7.609
_cell_angle_alpha   119.983
_cell_angle_beta   119.839
_cell_angle_gamma   90.154
_symmetry_Int_Tables_number   1
_cell_volume   311.966
_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
  In  In0  1  0.749  0.500  0.249  1.0
  In  In1  1  0.251  0.500  0.751  1.0
  Cu  Cu2  1  0.622  0.122  0.500  1.0
  Ag  Ag3  1  0.877  0.877  0.000  1.0
  Sn  Sn4  1  0.250  0.500  0.250  1.0
  Sn  Sn5  1  0.250  0.000  0.750  1.0
  S  S6  1  0.477  0.745  0.732  1.0
  S  S7  1  0.013  0.745  0.268  1.0
  S  S8  1  0.012  0.746  0.734  1.0
  S  S9  1  0.012  0.277  0.266  1.0
  S  S10  1  0.007  0.250  0.757  1.0
  S  S11  1  0.493  0.250  0.243  1.0
  S  S12  1  0.494  0.249  0.755  1.0
  S  S13  1  0.494  0.739  0.245  1.0
[/CIF]
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