The material described by Sr(CeS2)2 crystallizes in the tetragonal I-42d space group. Sr(1) is bonded to eight equivalent S(1) atoms to form distorted SrS8 hexagonal bipyramids that share corners with eight equivalent Ce(1)S8 hexagonal bipyramids, edges with four equivalent Sr(1)S8 hexagonal bipyramids, and faces with eight equivalent Ce(1)S8 hexagonal bipyramids. Ce(1) is bonded to eight equivalent S(1) atoms to form distorted CeS8 hexagonal bipyramids that share corners with four equivalent Sr(1)S8 hexagonal bipyramids, corners with four equivalent Ce(1)S8 hexagonal bipyramids, edges with four equivalent Ce(1)S8 hexagonal bipyramids, faces with four equivalent Sr(1)S8 hexagonal bipyramids, and faces with four equivalent Ce(1)S8 hexagonal bipyramids. S(1) is bonded to two equivalent Sr(1) and four equivalent Ce(1) atoms to form a mixture of distorted edge, corner, and face-sharing SSr2Ce4 octahedra. The corner-sharing octahedral tilt angles range from 16-51°. is represented by the CIF file [CIF]
data_Sr(CeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.528
_cell_length_b   7.528
_cell_length_c   7.528
_cell_angle_alpha   109.497
_cell_angle_beta   109.497
_cell_angle_gamma   109.420
_symmetry_Int_Tables_number   1
_cell_volume   328.416
_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
  Sr  Sr0  1  0.250  0.750  0.500  1.0
  Sr  Sr1  1  0.500  0.500  0.000  1.0
  Ce  Ce2  1  0.375  0.999  0.124  1.0
  Ce  Ce3  1  0.749  0.625  0.624  1.0
  Ce  Ce4  1  0.875  0.251  0.876  1.0
  Ce  Ce5  1  0.001  0.125  0.376  1.0
  S  S6  1  0.114  0.518  0.749  1.0
  S  S7  1  0.116  0.019  0.751  1.0
  S  S8  1  0.634  0.886  0.404  1.0
  S  S9  1  0.268  0.364  0.249  1.0
  S  S10  1  0.482  0.231  0.596  1.0
  S  S11  1  0.636  0.884  0.904  1.0
  S  S12  1  0.769  0.366  0.251  1.0
  S  S13  1  0.981  0.732  0.096  1.0
[/CIF]
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The material described by Sr(CeS2)2 crystallizes in the tetragonal I-42d space group. Sr(1) is bonded to eight equivalent S(1) atoms to form distorted SrS8 hexagonal bipyramids that share corners with eight equivalent Ce(1)S8 hexagonal bipyramids, edges with four equivalent Sr(1)S8 hexagonal bipyramids, and faces with eight equivalent Ce(1)S8 hexagonal bipyramids. Ce(1) is bonded to eight equivalent S(1) atoms to form distorted CeS8 hexagonal bipyramids that share corners with four equivalent Sr(1)S8 hexagonal bipyramids, corners with four equivalent Ce(1)S8 hexagonal bipyramids, edges with four equivalent Ce(1)S8 hexagonal bipyramids, faces with four equivalent Sr(1)S8 hexagonal bipyramids, and faces with four equivalent Ce(1)S8 hexagonal bipyramids. S(1) is bonded to two equivalent Sr(1) and four equivalent Ce(1) atoms to form a mixture of distorted edge, corner, and face-sharing SSr2Ce4 octahedra. The corner-sharing octahedral tilt angles range from 16-51°. is represented by the CIF file [CIF]
data_Sr(CeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.528
_cell_length_b   7.528
_cell_length_c   7.528
_cell_angle_alpha   109.497
_cell_angle_beta   109.497
_cell_angle_gamma   109.420
_symmetry_Int_Tables_number   1
_cell_volume   328.416
_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
  Sr  Sr0  1  0.250  0.750  0.500  1.0
  Sr  Sr1  1  0.500  0.500  0.000  1.0
  Ce  Ce2  1  0.375  0.999  0.124  1.0
  Ce  Ce3  1  0.749  0.625  0.624  1.0
  Ce  Ce4  1  0.875  0.251  0.876  1.0
  Ce  Ce5  1  0.001  0.125  0.376  1.0
  S  S6  1  0.114  0.518  0.749  1.0
  S  S7  1  0.116  0.019  0.751  1.0
  S  S8  1  0.634  0.886  0.404  1.0
  S  S9  1  0.268  0.364  0.249  1.0
  S  S10  1  0.482  0.231  0.596  1.0
  S  S11  1  0.636  0.884  0.904  1.0
  S  S12  1  0.769  0.366  0.251  1.0
  S  S13  1  0.981  0.732  0.096  1.0
[/CIF]
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