The material structure described by Ce3Si2 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a square co-planar geometry to two equivalent Si(1) and two equivalent Si(2) atoms. In the second Ce site, Ce(2) is bonded in a distorted hexagonal planar geometry to two equivalent Si(1) and four equivalent Si(2) atoms. In the third Ce site, Ce(3) is bonded in a distorted hexagonal planar geometry to two equivalent Si(2) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), four equivalent Ce(3), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(3), four equivalent Ce(2), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3Si2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.253
_cell_length_b   7.802
_cell_length_c   7.802
_cell_angle_alpha   89.852
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   258.899
_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
  Ce  Ce0  1  0.000  0.500  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Ce  Ce2  1  0.500  0.179  0.679  1.0
  Ce  Ce3  1  0.500  0.821  0.321  1.0
  Ce  Ce4  1  0.500  0.322  0.178  1.0
  Ce  Ce5  1  0.500  0.678  0.822  1.0
  Si  Si6  1  0.000  0.610  0.110  1.0
  Si  Si7  1  0.000  0.390  0.890  1.0
  Si  Si8  1  0.000  0.889  0.611  1.0
  Si  Si9  1  0.000  0.111  0.389  1.0
[/CIF]
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The material structure described by Ce3Si2 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a square co-planar geometry to two equivalent Si(1) and two equivalent Si(2) atoms. In the second Ce site, Ce(2) is bonded in a distorted hexagonal planar geometry to two equivalent Si(1) and four equivalent Si(2) atoms. In the third Ce site, Ce(3) is bonded in a distorted hexagonal planar geometry to two equivalent Si(2) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), four equivalent Ce(3), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(3), four equivalent Ce(2), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3Si2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.253
_cell_length_b   7.802
_cell_length_c   7.802
_cell_angle_alpha   89.852
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   258.899
_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
  Ce  Ce0  1  0.000  0.500  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Ce  Ce2  1  0.500  0.179  0.679  1.0
  Ce  Ce3  1  0.500  0.821  0.321  1.0
  Ce  Ce4  1  0.500  0.322  0.178  1.0
  Ce  Ce5  1  0.500  0.678  0.822  1.0
  Si  Si6  1  0.000  0.610  0.110  1.0
  Si  Si7  1  0.000  0.390  0.890  1.0
  Si  Si8  1  0.000  0.889  0.611  1.0
  Si  Si9  1  0.000  0.111  0.389  1.0
[/CIF]
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