The structure described by ZrCrAgS4 crystallizes in the monoclinic Cm space group. Zr(1) is bonded to one S(2), one S(3), two equivalent S(1), and two equivalent S(4) atoms to form ZrS6 octahedra that share corners with six equivalent Ag(1)S6 octahedra, edges with two equivalent Zr(1)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and  a faceface with one Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. Cr(1) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms to form CrS6 octahedra that share corners with six equivalent Ag(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent Zr(1)S6 octahedra, and  a faceface with one Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. Ag(1) is bonded to one S(1), one S(2), two equivalent S(3), and two equivalent S(4) atoms to form distorted AgS6 octahedra that share corners with six equivalent Zr(1)S6 octahedra, corners with six equivalent Cr(1)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra,  a faceface with one Zr(1)S6 octahedra, and  a faceface with one Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. 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 one Zr(1), two equivalent 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 two equivalent Ag(1) atoms to form distorted edge-sharing SZrCr2Ag2 trigonal bipyramids. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Zr(1), one Cr(1), and two equivalent Ag(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCrAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.637
_cell_length_b   6.109
_cell_length_c   7.272
_cell_angle_alpha   113.563
_cell_angle_beta   104.482
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.503
_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  0.497  0.482  0.994  1.0
  Cr  Cr1  1  0.755  0.771  0.509  1.0
  S  S2  1  0.630  0.959  0.260  1.0
  S  S3  1  0.366  0.015  0.731  1.0
  S  S4  1  0.150  0.512  0.300  1.0
  S  S5  1  0.857  0.535  0.713  1.0
  Zr  Zr6  1  0.246  0.227  0.491  1.0
[/CIF]
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The structure described by ZrCrAgS4 crystallizes in the monoclinic Cm space group. Zr(1) is bonded to one S(2), one S(3), two equivalent S(1), and two equivalent S(4) atoms to form ZrS6 octahedra that share corners with six equivalent Ag(1)S6 octahedra, edges with two equivalent Zr(1)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and  a faceface with one Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. Cr(1) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms to form CrS6 octahedra that share corners with six equivalent Ag(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent Zr(1)S6 octahedra, and  a faceface with one Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. Ag(1) is bonded to one S(1), one S(2), two equivalent S(3), and two equivalent S(4) atoms to form distorted AgS6 octahedra that share corners with six equivalent Zr(1)S6 octahedra, corners with six equivalent Cr(1)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra,  a faceface with one Zr(1)S6 octahedra, and  a faceface with one Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. 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 one Zr(1), two equivalent 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 two equivalent Ag(1) atoms to form distorted edge-sharing SZrCr2Ag2 trigonal bipyramids. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Zr(1), one Cr(1), and two equivalent Ag(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCrAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.637
_cell_length_b   6.109
_cell_length_c   7.272
_cell_angle_alpha   113.563
_cell_angle_beta   104.482
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.503
_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  0.497  0.482  0.994  1.0
  Cr  Cr1  1  0.755  0.771  0.509  1.0
  S  S2  1  0.630  0.959  0.260  1.0
  S  S3  1  0.366  0.015  0.731  1.0
  S  S4  1  0.150  0.512  0.300  1.0
  S  S5  1  0.857  0.535  0.713  1.0
  Zr  Zr6  1  0.246  0.227  0.491  1.0
[/CIF]
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