The structure described by YZrS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Y(1) is bonded to six equivalent S(1) atoms to form YS6 octahedra that share corners with six equivalent Zr(1)S6 octahedra, edges with six equivalent Y(1)S6 octahedra, and edges with six equivalent Zr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. Zr(1) is bonded to six equivalent S(1) atoms to form ZrS6 octahedra that share corners with six equivalent Y(1)S6 octahedra, edges with six equivalent Y(1)S6 octahedra, and edges with six equivalent Zr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. S(1) is bonded to three equivalent Y(1) and three equivalent Zr(1) atoms to form a mixture of corner and edge-sharing SY3Zr3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_YZrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.490
_cell_length_b   6.490
_cell_length_c   6.490
_cell_angle_alpha   34.570
_cell_angle_beta   34.570
_cell_angle_gamma   34.570
_symmetry_Int_Tables_number   1
_cell_volume   78.514
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.247  0.247  0.247  1.0
  S  S3  1  0.753  0.753  0.753  1.0
[/CIF]
.
The structure described by YZrS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Y(1) is bonded to six equivalent S(1) atoms to form YS6 octahedra that share corners with six equivalent Zr(1)S6 octahedra, edges with six equivalent Y(1)S6 octahedra, and edges with six equivalent Zr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. Zr(1) is bonded to six equivalent S(1) atoms to form ZrS6 octahedra that share corners with six equivalent Y(1)S6 octahedra, edges with six equivalent Y(1)S6 octahedra, and edges with six equivalent Zr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. S(1) is bonded to three equivalent Y(1) and three equivalent Zr(1) atoms to form a mixture of corner and edge-sharing SY3Zr3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_YZrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.490
_cell_length_b   6.490
_cell_length_c   6.490
_cell_angle_alpha   34.570
_cell_angle_beta   34.570
_cell_angle_gamma   34.570
_symmetry_Int_Tables_number   1
_cell_volume   78.514
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.247  0.247  0.247  1.0
  S  S3  1  0.753  0.753  0.753  1.0
[/CIF]
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