The material structure described by SrCe2(SF2)2 crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. Ce(1) is bonded in a 9-coordinate geometry to five equivalent S(1) and four equivalent F(1) atoms. S(1) is bonded to five equivalent Ce(1) atoms to form distorted SCe5 trigonal bipyramids that share corners with twelve equivalent F(1)Sr2Ce2 tetrahedra, corners with four equivalent S(1)Ce5 trigonal bipyramids, edges with four equivalent F(1)Sr2Ce2 tetrahedra, and edges with eight equivalent S(1)Ce5 trigonal bipyramids. F(1) is bonded to two equivalent Sr(1) and two equivalent Ce(1) atoms to form FSr2Ce2 tetrahedra that share corners with ten equivalent F(1)Sr2Ce2 tetrahedra, corners with six equivalent S(1)Ce5 trigonal bipyramids, edges with five equivalent F(1)Sr2Ce2 tetrahedra, and edges with two equivalent S(1)Ce5 trigonal bipyramids. is represented by the CIF card [CIF]
data_SrCe2(SF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.350
_cell_length_b   10.350
_cell_length_c   10.350
_cell_angle_alpha   157.650
_cell_angle_beta   157.650
_cell_angle_gamma   31.815
_symmetry_Int_Tables_number   1
_cell_volume   160.217
_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
  Sr  Sr0  1  0.500  0.500  0.000  1.0
  Ce  Ce1  1  0.842  0.842  0.000  1.0
  Ce  Ce2  1  0.158  0.158  0.000  1.0
  S  S3  1  0.302  0.302  0.000  1.0
  S  S4  1  0.698  0.698  0.000  1.0
  F  F5  1  0.925  0.425  0.500  1.0
  F  F6  1  0.425  0.925  0.500  1.0
  F  F7  1  0.075  0.575  0.500  1.0
  F  F8  1  0.575  0.075  0.500  1.0
[/CIF]
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The material structure described by SrCe2(SF2)2 crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. Ce(1) is bonded in a 9-coordinate geometry to five equivalent S(1) and four equivalent F(1) atoms. S(1) is bonded to five equivalent Ce(1) atoms to form distorted SCe5 trigonal bipyramids that share corners with twelve equivalent F(1)Sr2Ce2 tetrahedra, corners with four equivalent S(1)Ce5 trigonal bipyramids, edges with four equivalent F(1)Sr2Ce2 tetrahedra, and edges with eight equivalent S(1)Ce5 trigonal bipyramids. F(1) is bonded to two equivalent Sr(1) and two equivalent Ce(1) atoms to form FSr2Ce2 tetrahedra that share corners with ten equivalent F(1)Sr2Ce2 tetrahedra, corners with six equivalent S(1)Ce5 trigonal bipyramids, edges with five equivalent F(1)Sr2Ce2 tetrahedra, and edges with two equivalent S(1)Ce5 trigonal bipyramids. is represented by the CIF card [CIF]
data_SrCe2(SF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.350
_cell_length_b   10.350
_cell_length_c   10.350
_cell_angle_alpha   157.650
_cell_angle_beta   157.650
_cell_angle_gamma   31.815
_symmetry_Int_Tables_number   1
_cell_volume   160.217
_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
  Sr  Sr0  1  0.500  0.500  0.000  1.0
  Ce  Ce1  1  0.842  0.842  0.000  1.0
  Ce  Ce2  1  0.158  0.158  0.000  1.0
  S  S3  1  0.302  0.302  0.000  1.0
  S  S4  1  0.698  0.698  0.000  1.0
  F  F5  1  0.925  0.425  0.500  1.0
  F  F6  1  0.425  0.925  0.500  1.0
  F  F7  1  0.075  0.575  0.500  1.0
  F  F8  1  0.575  0.075  0.500  1.0
[/CIF]
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