The material structure described by Cr2AgS4 crystallizes in the monoclinic P2/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with eight equivalent Ag(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. In the second Cr site, Cr(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with four equivalent Ag(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and faces with two equivalent Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles are 49°. Ag(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form distorted AgS6 octahedra that share corners with four equivalent Cr(2)S6 octahedra, corners with eight equivalent Cr(1)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra, and faces with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. 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(2), two equivalent Cr(1), and one Ag(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Cr(1), two equivalent Cr(2), 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   3.470
_cell_length_b   5.948
_cell_length_c   6.383
_cell_angle_alpha   88.153
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   131.669
_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
  Cr  Cr0  1  0.500  0.500  0.000  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  Ag  Ag2  1  0.000  0.000  0.500  1.0
  S  S3  1  0.000  0.330  0.206  1.0
  S  S4  1  0.500  0.826  0.209  1.0
  S  S5  1  0.500  0.174  0.791  1.0
  S  S6  1  0.000  0.670  0.794  1.0
[/CIF]
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The material structure described by Cr2AgS4 crystallizes in the monoclinic P2/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with eight equivalent Ag(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. In the second Cr site, Cr(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with four equivalent Ag(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and faces with two equivalent Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles are 49°. Ag(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form distorted AgS6 octahedra that share corners with four equivalent Cr(2)S6 octahedra, corners with eight equivalent Cr(1)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra, and faces with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. 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(2), two equivalent Cr(1), and one Ag(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Cr(1), two equivalent Cr(2), 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   3.470
_cell_length_b   5.948
_cell_length_c   6.383
_cell_angle_alpha   88.153
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   131.669
_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
  Cr  Cr0  1  0.500  0.500  0.000  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  Ag  Ag2  1  0.000  0.000  0.500  1.0
  S  S3  1  0.000  0.330  0.206  1.0
  S  S4  1  0.500  0.826  0.209  1.0
  S  S5  1  0.500  0.174  0.791  1.0
  S  S6  1  0.000  0.670  0.794  1.0
[/CIF]
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