The compound described by SrCe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sr(1) is bonded to twelve Ce(1,1,1) atoms to form SrCe12 cuboctahedra that share corners with six equivalent Sr(1)Ce12 cuboctahedra; corners with twelve Ce(1,1,1)Sr4Ce8 cuboctahedra; edges with eighteen Ce(1,1,1)Sr4Ce8 cuboctahedra; faces with eight equivalent Sr(1)Ce12 cuboctahedra; and faces with twelve Ce(1,1,1)Sr4Ce8 cuboctahedra. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to four equivalent Sr(1) and eight Ce(1,1) atoms to form distorted CeSr4Ce8 cuboctahedra that share corners with four equivalent Sr(1)Ce12 cuboctahedra; corners with fourteen Ce(1,1)Sr4Ce8 cuboctahedra; edges with six equivalent Sr(1)Ce12 cuboctahedra; edges with twelve Ce(1,1)Sr4Ce8 cuboctahedra; faces with four equivalent Sr(1)Ce12 cuboctahedra; and faces with sixteen Ce(1,1,1)Sr4Ce8 cuboctahedra. In the second Ce site, Ce(1) is bonded to four equivalent Sr(1) and eight Ce(1,1) atoms to form distorted CeSr4Ce8 cuboctahedra that share corners with four equivalent Sr(1)Ce12 cuboctahedra; corners with fourteen Ce(1,1)Sr4Ce8 cuboctahedra; edges with six equivalent Sr(1)Ce12 cuboctahedra; edges with twelve Ce(1,1)Sr4Ce8 cuboctahedra; faces with four equivalent Sr(1)Ce12 cuboctahedra; and faces with sixteen Ce(1,1,1)Sr4Ce8 cuboctahedra. In the third Ce site, Ce(1) is bonded to four equivalent Sr(1) and eight Ce(1,1) atoms to form distorted CeSr4Ce8 cuboctahedra that share corners with four equivalent Sr(1)Ce12 cuboctahedra; corners with fourteen Ce(1,1,1)Sr4Ce8 cuboctahedra; edges with six equivalent Sr(1)Ce12 cuboctahedra; edges with twelve Ce(1,1)Sr4Ce8 cuboctahedra; faces with four equivalent Sr(1)Ce12 cuboctahedra; and faces with sixteen Ce(1,1,1)Sr4Ce8 cuboctahedra. is represented by the CIF file [CIF]
data_SrCe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.373
_cell_length_b   7.373
_cell_length_c   5.769
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   271.586
_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  0.333  0.667  0.750  1.0
  Sr  Sr1  1  0.667  0.333  0.250  1.0
  Ce  Ce2  1  0.153  0.305  0.250  1.0
  Ce  Ce3  1  0.695  0.847  0.250  1.0
  Ce  Ce4  1  0.153  0.847  0.250  1.0
  Ce  Ce5  1  0.847  0.695  0.750  1.0
  Ce  Ce6  1  0.305  0.153  0.750  1.0
  Ce  Ce7  1  0.847  0.153  0.750  1.0
[/CIF]
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The compound described by SrCe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sr(1) is bonded to twelve Ce(1,1,1) atoms to form SrCe12 cuboctahedra that share corners with six equivalent Sr(1)Ce12 cuboctahedra; corners with twelve Ce(1,1,1)Sr4Ce8 cuboctahedra; edges with eighteen Ce(1,1,1)Sr4Ce8 cuboctahedra; faces with eight equivalent Sr(1)Ce12 cuboctahedra; and faces with twelve Ce(1,1,1)Sr4Ce8 cuboctahedra. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to four equivalent Sr(1) and eight Ce(1,1) atoms to form distorted CeSr4Ce8 cuboctahedra that share corners with four equivalent Sr(1)Ce12 cuboctahedra; corners with fourteen Ce(1,1)Sr4Ce8 cuboctahedra; edges with six equivalent Sr(1)Ce12 cuboctahedra; edges with twelve Ce(1,1)Sr4Ce8 cuboctahedra; faces with four equivalent Sr(1)Ce12 cuboctahedra; and faces with sixteen Ce(1,1,1)Sr4Ce8 cuboctahedra. In the second Ce site, Ce(1) is bonded to four equivalent Sr(1) and eight Ce(1,1) atoms to form distorted CeSr4Ce8 cuboctahedra that share corners with four equivalent Sr(1)Ce12 cuboctahedra; corners with fourteen Ce(1,1)Sr4Ce8 cuboctahedra; edges with six equivalent Sr(1)Ce12 cuboctahedra; edges with twelve Ce(1,1)Sr4Ce8 cuboctahedra; faces with four equivalent Sr(1)Ce12 cuboctahedra; and faces with sixteen Ce(1,1,1)Sr4Ce8 cuboctahedra. In the third Ce site, Ce(1) is bonded to four equivalent Sr(1) and eight Ce(1,1) atoms to form distorted CeSr4Ce8 cuboctahedra that share corners with four equivalent Sr(1)Ce12 cuboctahedra; corners with fourteen Ce(1,1,1)Sr4Ce8 cuboctahedra; edges with six equivalent Sr(1)Ce12 cuboctahedra; edges with twelve Ce(1,1)Sr4Ce8 cuboctahedra; faces with four equivalent Sr(1)Ce12 cuboctahedra; and faces with sixteen Ce(1,1,1)Sr4Ce8 cuboctahedra. is represented by the CIF file [CIF]
data_SrCe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.373
_cell_length_b   7.373
_cell_length_c   5.769
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   271.586
_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  0.333  0.667  0.750  1.0
  Sr  Sr1  1  0.667  0.333  0.250  1.0
  Ce  Ce2  1  0.153  0.305  0.250  1.0
  Ce  Ce3  1  0.695  0.847  0.250  1.0
  Ce  Ce4  1  0.153  0.847  0.250  1.0
  Ce  Ce5  1  0.847  0.695  0.750  1.0
  Ce  Ce6  1  0.305  0.153  0.750  1.0
  Ce  Ce7  1  0.847  0.153  0.750  1.0
[/CIF]
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