The crystal structure described by LiYS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six S(1,1) atoms to form LiS6 octahedra that share corners with two equivalent Y(1)S6 octahedra, corners with four equivalent Li(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with eight equivalent Y(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Y(1) is bonded to six S(1,1,1,1) atoms to form YS6 octahedra that share corners with two equivalent Li(1)S6 octahedra, corners with four equivalent Y(1)S6 octahedra, edges with four equivalent Y(1)S6 octahedra, and edges with eight equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Li(1) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing SLi3Y3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second S site, S(1) is bonded to three equivalent Li(1) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing SLi3Y3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third S site, S(1) is bonded to three equivalent Li(1) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing SLi3Y3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth S site, S(1) is bonded to three equivalent Li(1) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing SLi3Y3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiYS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.751
_cell_length_b   6.751
_cell_length_c   6.751
_cell_angle_alpha   132.571
_cell_angle_beta   132.571
_cell_angle_gamma   69.329
_symmetry_Int_Tables_number   1
_cell_volume   163.766
_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
  Li  Li0  1  0.500  0.500  0.000  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Y  Y3  1  0.750  0.250  0.500  1.0
  S  S4  1  0.755  0.755  0.000  1.0
  S  S5  1  0.505  0.005  0.500  1.0
  S  S6  1  0.245  0.245  0.000  1.0
  S  S7  1  0.995  0.495  0.500  1.0
[/CIF]
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The crystal structure described by LiYS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six S(1,1) atoms to form LiS6 octahedra that share corners with two equivalent Y(1)S6 octahedra, corners with four equivalent Li(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with eight equivalent Y(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Y(1) is bonded to six S(1,1,1,1) atoms to form YS6 octahedra that share corners with two equivalent Li(1)S6 octahedra, corners with four equivalent Y(1)S6 octahedra, edges with four equivalent Y(1)S6 octahedra, and edges with eight equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Li(1) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing SLi3Y3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second S site, S(1) is bonded to three equivalent Li(1) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing SLi3Y3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third S site, S(1) is bonded to three equivalent Li(1) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing SLi3Y3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth S site, S(1) is bonded to three equivalent Li(1) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing SLi3Y3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiYS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.751
_cell_length_b   6.751
_cell_length_c   6.751
_cell_angle_alpha   132.571
_cell_angle_beta   132.571
_cell_angle_gamma   69.329
_symmetry_Int_Tables_number   1
_cell_volume   163.766
_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
  Li  Li0  1  0.500  0.500  0.000  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Y  Y3  1  0.750  0.250  0.500  1.0
  S  S4  1  0.755  0.755  0.000  1.0
  S  S5  1  0.505  0.005  0.500  1.0
  S  S6  1  0.245  0.245  0.000  1.0
  S  S7  1  0.995  0.495  0.500  1.0
[/CIF]
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