The structure described by ZrCrAgS4 is Spinel-derived structured and crystallizes in the monoclinic Cc space group. Zr(1) is bonded to one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms to form ZrS6 octahedra that share corners with six equivalent Ag(1)S4 tetrahedra, edges with two equivalent Zr(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. Cr(1) is bonded to one S(1), one S(2), two equivalent S(3), and two equivalent S(4) 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 Zr(1)S6 octahedra. Ag(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form AgS4 tetrahedra that share corners with six equivalent Zr(1)S6 octahedra and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-66°. There are four 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 rectangular see-saw-like geometry to two equivalent Zr(1), one Cr(1), and one Ag(1) atom. In the third S site, S(3) is bonded to one Zr(1), two equivalent Cr(1), and one Ag(1) atom to form distorted corner-sharing SZrCr2Ag tetrahedra. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Zr(1), two equivalent Cr(1), and one Ag(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCrAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.418
_cell_length_b   7.418
_cell_length_c   7.436
_cell_angle_alpha   60.096
_cell_angle_beta   60.096
_cell_angle_gamma   89.501
_symmetry_Int_Tables_number   1
_cell_volume   291.392
_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
  Ag  Ag0  1  0.016  0.001  0.992  1.0
  Ag  Ag1  1  0.251  0.766  0.492  1.0
  Cr  Cr2  1  0.627  0.373  0.248  1.0
  Cr  Cr3  1  0.623  0.377  0.748  1.0
  S  S4  1  0.386  0.607  0.769  1.0
  S  S5  1  0.390  0.604  0.242  1.0
  S  S6  1  0.406  0.171  0.208  1.0
  S  S7  1  0.840  0.592  0.783  1.0
  S  S8  1  0.854  0.140  0.742  1.0
  S  S9  1  0.421  0.156  0.708  1.0
  S  S10  1  0.842  0.590  0.283  1.0
  S  S11  1  0.857  0.136  0.269  1.0
  Zr  Zr12  1  0.625  0.862  0.759  1.0
  Zr  Zr13  1  0.112  0.375  0.259  1.0
[/CIF]
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The structure described by ZrCrAgS4 is Spinel-derived structured and crystallizes in the monoclinic Cc space group. Zr(1) is bonded to one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms to form ZrS6 octahedra that share corners with six equivalent Ag(1)S4 tetrahedra, edges with two equivalent Zr(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. Cr(1) is bonded to one S(1), one S(2), two equivalent S(3), and two equivalent S(4) 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 Zr(1)S6 octahedra. Ag(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form AgS4 tetrahedra that share corners with six equivalent Zr(1)S6 octahedra and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-66°. There are four 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 rectangular see-saw-like geometry to two equivalent Zr(1), one Cr(1), and one Ag(1) atom. In the third S site, S(3) is bonded to one Zr(1), two equivalent Cr(1), and one Ag(1) atom to form distorted corner-sharing SZrCr2Ag tetrahedra. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Zr(1), two equivalent Cr(1), and one Ag(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCrAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.418
_cell_length_b   7.418
_cell_length_c   7.436
_cell_angle_alpha   60.096
_cell_angle_beta   60.096
_cell_angle_gamma   89.501
_symmetry_Int_Tables_number   1
_cell_volume   291.392
_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
  Ag  Ag0  1  0.016  0.001  0.992  1.0
  Ag  Ag1  1  0.251  0.766  0.492  1.0
  Cr  Cr2  1  0.627  0.373  0.248  1.0
  Cr  Cr3  1  0.623  0.377  0.748  1.0
  S  S4  1  0.386  0.607  0.769  1.0
  S  S5  1  0.390  0.604  0.242  1.0
  S  S6  1  0.406  0.171  0.208  1.0
  S  S7  1  0.840  0.592  0.783  1.0
  S  S8  1  0.854  0.140  0.742  1.0
  S  S9  1  0.421  0.156  0.708  1.0
  S  S10  1  0.842  0.590  0.283  1.0
  S  S11  1  0.857  0.136  0.269  1.0
  Zr  Zr12  1  0.625  0.862  0.759  1.0
  Zr  Zr13  1  0.112  0.375  0.259  1.0
[/CIF]
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