The material described by CrAgSnS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with six equivalent Ag(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. 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 Cr(1)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-66°. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SnS6 octahedra that share corners with six equivalent Ag(1)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Ag(1), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cr(1), one Ag(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_CrAgSnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.457
_cell_length_b   7.457
_cell_length_c   7.457
_cell_angle_alpha   120.884
_cell_angle_beta   118.936
_cell_angle_gamma   90.165
_symmetry_Int_Tables_number   1
_cell_volume   293.455
_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
  Cr  Cr0  1  0.500  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  Ag  Ag2  1  0.885  0.635  0.250  1.0
  Ag  Ag3  1  0.115  0.365  0.750  1.0
  Sn  Sn4  1  0.500  0.000  0.500  1.0
  Sn  Sn5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.730  0.740  0.510  1.0
  S  S7  1  0.730  0.220  0.990  1.0
  S  S8  1  0.718  0.755  0.963  1.0
  S  S9  1  0.292  0.755  0.537  1.0
  S  S10  1  0.270  0.260  0.490  1.0
  S  S11  1  0.270  0.780  0.010  1.0
  S  S12  1  0.282  0.245  0.037  1.0
  S  S13  1  0.708  0.245  0.463  1.0
[/CIF]
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The material described by CrAgSnS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with six equivalent Ag(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. 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 Cr(1)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-66°. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SnS6 octahedra that share corners with six equivalent Ag(1)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Ag(1), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cr(1), one Ag(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_CrAgSnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.457
_cell_length_b   7.457
_cell_length_c   7.457
_cell_angle_alpha   120.884
_cell_angle_beta   118.936
_cell_angle_gamma   90.165
_symmetry_Int_Tables_number   1
_cell_volume   293.455
_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
  Cr  Cr0  1  0.500  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  Ag  Ag2  1  0.885  0.635  0.250  1.0
  Ag  Ag3  1  0.115  0.365  0.750  1.0
  Sn  Sn4  1  0.500  0.000  0.500  1.0
  Sn  Sn5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.730  0.740  0.510  1.0
  S  S7  1  0.730  0.220  0.990  1.0
  S  S8  1  0.718  0.755  0.963  1.0
  S  S9  1  0.292  0.755  0.537  1.0
  S  S10  1  0.270  0.260  0.490  1.0
  S  S11  1  0.270  0.780  0.010  1.0
  S  S12  1  0.282  0.245  0.037  1.0
  S  S13  1  0.708  0.245  0.463  1.0
[/CIF]
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