The structure described by CeMgSi2 crystallizes in the tetragonal I4_1/amd space group. Mg(1) is bonded in a distorted square co-planar geometry to four equivalent Si(1) atoms. Ce(1) is bonded in a 10-coordinate geometry to four equivalent Si(1) and six Si(2,2) atoms. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Mg(1), four equivalent Ce(1), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Ce(1), one Si(1), and two equivalent Si(2) atoms. In the third Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Ce(1), one Si(1), and two equivalent Si(2) atoms. In the fourth Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Ce(1), one Si(1), and two equivalent Si(2) atoms. In the fifth Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Ce(1), one Si(1), and two equivalent Si(2) atoms. In the sixth Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Ce(1), one Si(1), and two equivalent Si(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeMgSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.238
_cell_length_b   4.238
_cell_length_c   18.759
_cell_angle_alpha   96.520
_cell_angle_beta   96.486
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   332.577
_cell_formula_units_Z   4
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  0.703  0.953  0.905  1.0
  Ce  Ce1  1  0.453  0.203  0.405  1.0
  Ce  Ce2  1  0.297  0.047  0.095  1.0
  Ce  Ce3  1  0.547  0.797  0.595  1.0
  Mg  Mg4  1  0.625  0.375  0.750  1.0
  Mg  Mg5  1  0.375  0.625  0.250  1.0
  Mg  Mg6  1  0.125  0.875  0.750  1.0
  Mg  Mg7  1  0.875  0.125  0.250  1.0
  Si  Si8  1  0.077  0.327  0.654  1.0
  Si  Si9  1  0.173  0.423  0.846  1.0
  Si  Si10  1  0.827  0.577  0.154  1.0
  Si  Si11  1  0.923  0.673  0.346  1.0
  Si  Si12  1  0.014  0.265  0.529  1.0
  Si  Si13  1  0.764  0.515  0.029  1.0
  Si  Si14  1  0.986  0.735  0.471  1.0
  Si  Si15  1  0.236  0.485  0.971  1.0
[/CIF]
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The structure described by CeMgSi2 crystallizes in the tetragonal I4_1/amd space group. Mg(1) is bonded in a distorted square co-planar geometry to four equivalent Si(1) atoms. Ce(1) is bonded in a 10-coordinate geometry to four equivalent Si(1) and six Si(2,2) atoms. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Mg(1), four equivalent Ce(1), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Ce(1), one Si(1), and two equivalent Si(2) atoms. In the third Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Ce(1), one Si(1), and two equivalent Si(2) atoms. In the fourth Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Ce(1), one Si(1), and two equivalent Si(2) atoms. In the fifth Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Ce(1), one Si(1), and two equivalent Si(2) atoms. In the sixth Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Ce(1), one Si(1), and two equivalent Si(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeMgSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.238
_cell_length_b   4.238
_cell_length_c   18.759
_cell_angle_alpha   96.520
_cell_angle_beta   96.486
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   332.577
_cell_formula_units_Z   4
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  0.703  0.953  0.905  1.0
  Ce  Ce1  1  0.453  0.203  0.405  1.0
  Ce  Ce2  1  0.297  0.047  0.095  1.0
  Ce  Ce3  1  0.547  0.797  0.595  1.0
  Mg  Mg4  1  0.625  0.375  0.750  1.0
  Mg  Mg5  1  0.375  0.625  0.250  1.0
  Mg  Mg6  1  0.125  0.875  0.750  1.0
  Mg  Mg7  1  0.875  0.125  0.250  1.0
  Si  Si8  1  0.077  0.327  0.654  1.0
  Si  Si9  1  0.173  0.423  0.846  1.0
  Si  Si10  1  0.827  0.577  0.154  1.0
  Si  Si11  1  0.923  0.673  0.346  1.0
  Si  Si12  1  0.014  0.265  0.529  1.0
  Si  Si13  1  0.764  0.515  0.029  1.0
  Si  Si14  1  0.986  0.735  0.471  1.0
  Si  Si15  1  0.236  0.485  0.971  1.0
[/CIF]
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