The material described by CeCo2BSi crystallizes in the tetragonal I4mm space group. Ce(1) is bonded to four equivalent Co(1), four equivalent B(1), and four equivalent Si(1) atoms to form a mixture of distorted face and edge-sharing CeCo4Si4B4 cuboctahedra. Co(1) is bonded in a 6-coordinate geometry to two equivalent Ce(1), two equivalent B(1), and two equivalent Si(1) atoms. B(1) is bonded in a 4-coordinate geometry to four equivalent Ce(1), four equivalent Co(1), and one Si(1) atom. Si(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), four equivalent Co(1), and one B(1) atom. is represented by the CIF card [CIF]
data_CeCo2SiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.715
_cell_length_b   3.715
_cell_length_c   5.546
_cell_angle_alpha   70.432
_cell_angle_beta   70.432
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   67.402
_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
  Ce  Ce0  1  0.987  0.987  0.026  1.0
  Co  Co1  1  0.763  0.263  0.474  1.0
  Co  Co2  1  0.263  0.763  0.474  1.0
  Si  Si3  1  0.631  0.631  0.738  1.0
  B  B4  1  0.356  0.356  0.289  1.0
[/CIF]
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The material described by CeCo2BSi crystallizes in the tetragonal I4mm space group. Ce(1) is bonded to four equivalent Co(1), four equivalent B(1), and four equivalent Si(1) atoms to form a mixture of distorted face and edge-sharing CeCo4Si4B4 cuboctahedra. Co(1) is bonded in a 6-coordinate geometry to two equivalent Ce(1), two equivalent B(1), and two equivalent Si(1) atoms. B(1) is bonded in a 4-coordinate geometry to four equivalent Ce(1), four equivalent Co(1), and one Si(1) atom. Si(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), four equivalent Co(1), and one B(1) atom. is represented by the CIF card [CIF]
data_CeCo2SiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.715
_cell_length_b   3.715
_cell_length_c   5.546
_cell_angle_alpha   70.432
_cell_angle_beta   70.432
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   67.402
_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
  Ce  Ce0  1  0.987  0.987  0.026  1.0
  Co  Co1  1  0.763  0.263  0.474  1.0
  Co  Co2  1  0.263  0.763  0.474  1.0
  Si  Si3  1  0.631  0.631  0.738  1.0
  B  B4  1  0.356  0.356  0.289  1.0
[/CIF]
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