The material described by Y(CrS2)2 crystallizes in the orthorhombic Imma space group. Y(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form YS6 octahedra that share corners with six equivalent Cr(2)S6 octahedra, edges with two equivalent Y(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent Y(1)S6 octahedra, and edges with four equivalent Cr(2)S6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with six equivalent Y(1)S6 octahedra, edges with two equivalent Y(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Y(1), one Cr(2), and two equivalent Cr(1) atoms. In the second S site, S(2) is bonded to two equivalent Y(1), one Cr(1), and two equivalent Cr(2) atoms to form a mixture of edge and corner-sharing SY2Cr3 square pyramids. is represented by the CIF card [CIF]
data_Y(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.294
_cell_length_b   7.294
_cell_length_c   7.294
_cell_angle_alpha   121.186
_cell_angle_beta   116.622
_cell_angle_gamma   91.953
_symmetry_Int_Tables_number   1
_cell_volume   278.271
_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
  Y  Y0  1  0.500  0.000  0.500  1.0
  Y  Y1  1  0.000  0.000  0.000  1.0
  Cr  Cr2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.500  0.000  1.0
  Cr  Cr4  1  0.500  0.000  0.000  1.0
  Cr  Cr5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.730  0.264  0.466  1.0
  S  S7  1  0.743  0.724  0.482  1.0
  S  S8  1  0.298  0.264  0.034  1.0
  S  S9  1  0.257  0.739  0.982  1.0
  S  S10  1  0.702  0.736  0.966  1.0
  S  S11  1  0.257  0.276  0.518  1.0
  S  S12  1  0.743  0.261  0.018  1.0
  S  S13  1  0.270  0.736  0.534  1.0
[/CIF]
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The material described by Y(CrS2)2 crystallizes in the orthorhombic Imma space group. Y(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form YS6 octahedra that share corners with six equivalent Cr(2)S6 octahedra, edges with two equivalent Y(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent Y(1)S6 octahedra, and edges with four equivalent Cr(2)S6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with six equivalent Y(1)S6 octahedra, edges with two equivalent Y(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Y(1), one Cr(2), and two equivalent Cr(1) atoms. In the second S site, S(2) is bonded to two equivalent Y(1), one Cr(1), and two equivalent Cr(2) atoms to form a mixture of edge and corner-sharing SY2Cr3 square pyramids. is represented by the CIF card [CIF]
data_Y(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.294
_cell_length_b   7.294
_cell_length_c   7.294
_cell_angle_alpha   121.186
_cell_angle_beta   116.622
_cell_angle_gamma   91.953
_symmetry_Int_Tables_number   1
_cell_volume   278.271
_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
  Y  Y0  1  0.500  0.000  0.500  1.0
  Y  Y1  1  0.000  0.000  0.000  1.0
  Cr  Cr2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.500  0.000  1.0
  Cr  Cr4  1  0.500  0.000  0.000  1.0
  Cr  Cr5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.730  0.264  0.466  1.0
  S  S7  1  0.743  0.724  0.482  1.0
  S  S8  1  0.298  0.264  0.034  1.0
  S  S9  1  0.257  0.739  0.982  1.0
  S  S10  1  0.702  0.736  0.966  1.0
  S  S11  1  0.257  0.276  0.518  1.0
  S  S12  1  0.743  0.261  0.018  1.0
  S  S13  1  0.270  0.736  0.534  1.0
[/CIF]
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