The compound described by Ce10Si8O3 crystallizes in the hexagonal P6/mmm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Si(1), four equivalent Si(2), and two equivalent O(1) atoms. In the second Ce site, Ce(2) is bonded in a distorted linear geometry to two equivalent Si(1), two equivalent Si(2), and two equivalent O(1) atoms. In the third Ce site, Ce(3) is bonded to twelve equivalent Si(2) atoms to form face-sharing CeSi12 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Ce(2) and six equivalent Ce(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Ce(2), two equivalent Ce(3), four equivalent Ce(1), and two equivalent Si(2) atoms. O(1) is bonded to two equivalent Ce(2) and four equivalent Ce(1) atoms to form corner-sharing OCe6 octahedra. The corner-sharing octahedral tilt angles range from 0-31°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce10Si8O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.805
_cell_length_b   10.805
_cell_length_c   4.545
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   459.506
_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  0.211  0.789  0.000  1.0
  Ce  Ce1  1  0.211  0.421  0.000  1.0
  Ce  Ce2  1  0.500  0.000  0.500  1.0
  Ce  Ce3  1  0.789  0.579  0.000  1.0
  Ce  Ce4  1  0.421  0.211  0.000  1.0
  Ce  Ce5  1  1.000  1.000  0.000  1.0
  Ce  Ce6  1  0.579  0.789  0.000  1.0
  Ce  Ce7  1  1.000  0.500  0.500  1.0
  Ce  Ce8  1  0.789  0.211  0.000  1.0
  Ce  Ce9  1  0.500  0.500  0.500  1.0
  Si  Si10  1  0.667  0.333  0.500  1.0
  Si  Si11  1  1.000  0.780  0.500  1.0
  Si  Si12  1  0.333  0.667  0.500  1.0
  Si  Si13  1  0.220  0.220  0.500  1.0
  Si  Si14  1  0.780  0.780  0.500  1.0
  Si  Si15  1  0.780  1.000  0.500  1.0
  Si  Si16  1  0.220  0.000  0.500  1.0
  Si  Si17  1  0.000  0.220  0.500  1.0
  O  O18  1  0.500  0.500  0.000  1.0
  O  O19  1  0.500  0.000  0.000  1.0
  O  O20  1  1.000  0.500  0.000  1.0
[/CIF]
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The compound described by Ce10Si8O3 crystallizes in the hexagonal P6/mmm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Si(1), four equivalent Si(2), and two equivalent O(1) atoms. In the second Ce site, Ce(2) is bonded in a distorted linear geometry to two equivalent Si(1), two equivalent Si(2), and two equivalent O(1) atoms. In the third Ce site, Ce(3) is bonded to twelve equivalent Si(2) atoms to form face-sharing CeSi12 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Ce(2) and six equivalent Ce(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Ce(2), two equivalent Ce(3), four equivalent Ce(1), and two equivalent Si(2) atoms. O(1) is bonded to two equivalent Ce(2) and four equivalent Ce(1) atoms to form corner-sharing OCe6 octahedra. The corner-sharing octahedral tilt angles range from 0-31°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce10Si8O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.805
_cell_length_b   10.805
_cell_length_c   4.545
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   459.506
_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  0.211  0.789  0.000  1.0
  Ce  Ce1  1  0.211  0.421  0.000  1.0
  Ce  Ce2  1  0.500  0.000  0.500  1.0
  Ce  Ce3  1  0.789  0.579  0.000  1.0
  Ce  Ce4  1  0.421  0.211  0.000  1.0
  Ce  Ce5  1  1.000  1.000  0.000  1.0
  Ce  Ce6  1  0.579  0.789  0.000  1.0
  Ce  Ce7  1  1.000  0.500  0.500  1.0
  Ce  Ce8  1  0.789  0.211  0.000  1.0
  Ce  Ce9  1  0.500  0.500  0.500  1.0
  Si  Si10  1  0.667  0.333  0.500  1.0
  Si  Si11  1  1.000  0.780  0.500  1.0
  Si  Si12  1  0.333  0.667  0.500  1.0
  Si  Si13  1  0.220  0.220  0.500  1.0
  Si  Si14  1  0.780  0.780  0.500  1.0
  Si  Si15  1  0.780  1.000  0.500  1.0
  Si  Si16  1  0.220  0.000  0.500  1.0
  Si  Si17  1  0.000  0.220  0.500  1.0
  O  O18  1  0.500  0.500  0.000  1.0
  O  O19  1  0.500  0.000  0.000  1.0
  O  O20  1  1.000  0.500  0.000  1.0
[/CIF]
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