The material described by Ce2SnSi2 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 10-coordinate geometry to four equivalent Sn(1), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the second Ce site, Ce(2) is bonded in a 10-coordinate geometry to four equivalent Sn(1), two equivalent Si(3), and four equivalent Si(1) atoms. In the third Ce site, Ce(3) is bonded in a 10-coordinate geometry to four equivalent Sn(1), two equivalent Si(2), and four equivalent Si(1) atoms. Sn(1) is bonded to two equivalent Ce(2), two equivalent Ce(3), four equivalent Ce(1), one Si(2), one Si(3), and two equivalent Si(1) atoms to form a mixture of corner and face-sharing SnCe8Si4 cuboctahedra. There are three 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), two equivalent Ce(3), two equivalent Sn(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Ce(3), four equivalent Ce(1), two equivalent Sn(1), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Ce(2), four equivalent Ce(1), two equivalent Sn(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Ce2Si2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.390
_cell_length_b   7.390
_cell_length_c   4.427
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.948
_symmetry_Int_Tables_number   1
_cell_volume   241.769
_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  0.682  0.180  0.500  1.0
  Ce  Ce1  1  0.320  0.818  0.500  1.0
  Ce  Ce2  1  0.180  0.319  0.500  1.0
  Ce  Ce3  1  0.819  0.681  0.500  1.0
  Si  Si4  1  0.113  0.612  0.000  1.0
  Si  Si5  1  0.888  0.387  0.000  1.0
  Si  Si6  1  0.613  0.887  0.000  1.0
  Si  Si7  1  0.386  0.114  0.000  1.0
  Sn  Sn8  1  0.001  0.002  0.000  1.0
  Sn  Sn9  1  0.498  0.499  0.000  1.0
[/CIF]
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The material described by Ce2SnSi2 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 10-coordinate geometry to four equivalent Sn(1), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the second Ce site, Ce(2) is bonded in a 10-coordinate geometry to four equivalent Sn(1), two equivalent Si(3), and four equivalent Si(1) atoms. In the third Ce site, Ce(3) is bonded in a 10-coordinate geometry to four equivalent Sn(1), two equivalent Si(2), and four equivalent Si(1) atoms. Sn(1) is bonded to two equivalent Ce(2), two equivalent Ce(3), four equivalent Ce(1), one Si(2), one Si(3), and two equivalent Si(1) atoms to form a mixture of corner and face-sharing SnCe8Si4 cuboctahedra. There are three 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), two equivalent Ce(3), two equivalent Sn(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Ce(3), four equivalent Ce(1), two equivalent Sn(1), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Ce(2), four equivalent Ce(1), two equivalent Sn(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Ce2Si2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.390
_cell_length_b   7.390
_cell_length_c   4.427
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.948
_symmetry_Int_Tables_number   1
_cell_volume   241.769
_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  0.682  0.180  0.500  1.0
  Ce  Ce1  1  0.320  0.818  0.500  1.0
  Ce  Ce2  1  0.180  0.319  0.500  1.0
  Ce  Ce3  1  0.819  0.681  0.500  1.0
  Si  Si4  1  0.113  0.612  0.000  1.0
  Si  Si5  1  0.888  0.387  0.000  1.0
  Si  Si6  1  0.613  0.887  0.000  1.0
  Si  Si7  1  0.386  0.114  0.000  1.0
  Sn  Sn8  1  0.001  0.002  0.000  1.0
  Sn  Sn9  1  0.498  0.499  0.000  1.0
[/CIF]
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