The structure described by ZrCrAgS4 crystallizes in the monoclinic P2/m space group. Zr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form ZrS6 octahedra that share corners with eight equivalent Ag(1)S6 octahedra, edges with two equivalent Zr(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. Cr(1) 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(1)S6 octahedra, edges with four equivalent Zr(1)S6 octahedra, and faces with two equivalent Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles are 44°. 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(1)S6 octahedra, corners with eight equivalent Zr(1)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra, and faces with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 44-48°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Zr(1), one Cr(1), and one Ag(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Zr(1), two equivalent Cr(1), and two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_ZrCrAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.617
_cell_length_b   6.150
_cell_length_c   6.577
_cell_angle_alpha   88.317
_cell_angle_beta   89.999
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   146.252
_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
  Ag  Ag0  1  1.000  0.000  0.000  1.0
  Cr  Cr1  1  1.000  0.000  0.500  1.0
  S  S2  1  1.000  0.316  0.721  1.0
  S  S3  1  0.500  0.844  0.711  1.0
  S  S4  1  0.500  0.156  0.289  1.0
  S  S5  1  0.000  0.683  0.279  1.0
  Zr  Zr6  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by ZrCrAgS4 crystallizes in the monoclinic P2/m space group. Zr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form ZrS6 octahedra that share corners with eight equivalent Ag(1)S6 octahedra, edges with two equivalent Zr(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. Cr(1) 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(1)S6 octahedra, edges with four equivalent Zr(1)S6 octahedra, and faces with two equivalent Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles are 44°. 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(1)S6 octahedra, corners with eight equivalent Zr(1)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra, and faces with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 44-48°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Zr(1), one Cr(1), and one Ag(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Zr(1), two equivalent Cr(1), and two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_ZrCrAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.617
_cell_length_b   6.150
_cell_length_c   6.577
_cell_angle_alpha   88.317
_cell_angle_beta   89.999
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   146.252
_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
  Ag  Ag0  1  1.000  0.000  0.000  1.0
  Cr  Cr1  1  1.000  0.000  0.500  1.0
  S  S2  1  1.000  0.316  0.721  1.0
  S  S3  1  0.500  0.844  0.711  1.0
  S  S4  1  0.500  0.156  0.289  1.0
  S  S5  1  0.000  0.683  0.279  1.0
  Zr  Zr6  1  0.500  0.500  0.500  1.0
[/CIF]
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