The structure described by Cr2AgS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), two equivalent S(4), and three equivalent S(2) atoms to form a mixture of edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second Cr site, Cr(2) is bonded to one S(4), two equivalent S(1), and three equivalent S(3) atoms to form a mixture of edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. Ag(1) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Cr(1), two equivalent Cr(2), and one Ag(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Cr(1) and two equivalent Ag(1) atoms. In the third S site, S(3) is bonded to three equivalent Cr(2) and two equivalent Ag(1) atoms to form distorted edge-sharing SCr3Ag2 trigonal bipyramids. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Cr(2), two equivalent Cr(1), and two equivalent Ag(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr2AgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.486
_cell_length_b   11.073
_cell_length_c   12.583
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   485.662
_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
  Cr  Cr0  1  0.250  0.058  0.117  1.0
  Cr  Cr1  1  0.750  0.942  0.883  1.0
  Cr  Cr2  1  0.750  0.442  0.617  1.0
  Cr  Cr3  1  0.250  0.558  0.383  1.0
  Cr  Cr4  1  0.250  0.087  0.597  1.0
  Cr  Cr5  1  0.750  0.913  0.403  1.0
  Cr  Cr6  1  0.750  0.413  0.097  1.0
  Cr  Cr7  1  0.250  0.587  0.903  1.0
  Ag  Ag8  1  0.250  0.246  0.330  1.0
  Ag  Ag9  1  0.750  0.754  0.670  1.0
  Ag  Ag10  1  0.750  0.254  0.830  1.0
  Ag  Ag11  1  0.250  0.746  0.170  1.0
  S  S12  1  0.750  0.036  0.713  1.0
  S  S13  1  0.250  0.964  0.287  1.0
  S  S14  1  0.250  0.464  0.213  1.0
  S  S15  1  0.750  0.536  0.787  1.0
  S  S16  1  0.250  0.082  0.931  1.0
  S  S17  1  0.750  0.918  0.069  1.0
  S  S18  1  0.750  0.418  0.431  1.0
  S  S19  1  0.250  0.582  0.569  1.0
  S  S20  1  0.750  0.115  0.469  1.0
  S  S21  1  0.250  0.885  0.531  1.0
  S  S22  1  0.250  0.385  0.969  1.0
  S  S23  1  0.750  0.615  0.031  1.0
  S  S24  1  0.750  0.200  0.153  1.0
  S  S25  1  0.250  0.800  0.847  1.0
  S  S26  1  0.250  0.300  0.653  1.0
  S  S27  1  0.750  0.700  0.347  1.0
[/CIF]
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The structure described by Cr2AgS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), two equivalent S(4), and three equivalent S(2) atoms to form a mixture of edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second Cr site, Cr(2) is bonded to one S(4), two equivalent S(1), and three equivalent S(3) atoms to form a mixture of edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. Ag(1) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Cr(1), two equivalent Cr(2), and one Ag(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Cr(1) and two equivalent Ag(1) atoms. In the third S site, S(3) is bonded to three equivalent Cr(2) and two equivalent Ag(1) atoms to form distorted edge-sharing SCr3Ag2 trigonal bipyramids. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Cr(2), two equivalent Cr(1), and two equivalent Ag(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr2AgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.486
_cell_length_b   11.073
_cell_length_c   12.583
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   485.662
_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
  Cr  Cr0  1  0.250  0.058  0.117  1.0
  Cr  Cr1  1  0.750  0.942  0.883  1.0
  Cr  Cr2  1  0.750  0.442  0.617  1.0
  Cr  Cr3  1  0.250  0.558  0.383  1.0
  Cr  Cr4  1  0.250  0.087  0.597  1.0
  Cr  Cr5  1  0.750  0.913  0.403  1.0
  Cr  Cr6  1  0.750  0.413  0.097  1.0
  Cr  Cr7  1  0.250  0.587  0.903  1.0
  Ag  Ag8  1  0.250  0.246  0.330  1.0
  Ag  Ag9  1  0.750  0.754  0.670  1.0
  Ag  Ag10  1  0.750  0.254  0.830  1.0
  Ag  Ag11  1  0.250  0.746  0.170  1.0
  S  S12  1  0.750  0.036  0.713  1.0
  S  S13  1  0.250  0.964  0.287  1.0
  S  S14  1  0.250  0.464  0.213  1.0
  S  S15  1  0.750  0.536  0.787  1.0
  S  S16  1  0.250  0.082  0.931  1.0
  S  S17  1  0.750  0.918  0.069  1.0
  S  S18  1  0.750  0.418  0.431  1.0
  S  S19  1  0.250  0.582  0.569  1.0
  S  S20  1  0.750  0.115  0.469  1.0
  S  S21  1  0.250  0.885  0.531  1.0
  S  S22  1  0.250  0.385  0.969  1.0
  S  S23  1  0.750  0.615  0.031  1.0
  S  S24  1  0.750  0.200  0.153  1.0
  S  S25  1  0.250  0.800  0.847  1.0
  S  S26  1  0.250  0.300  0.653  1.0
  S  S27  1  0.750  0.700  0.347  1.0
[/CIF]
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