The compound described by Ce2WC2 is Ilmenite-like structured and crystallizes in the tetragonal P4_2/mnm space group. Ce(1) is bonded in a 4-coordinate geometry to two equivalent C(1) and two equivalent C(2) atoms. W(1) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form a mixture of distorted edge and corner-sharing WC4 trigonal pyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded to four equivalent Ce(1) and two equivalent W(1) atoms to form a mixture of edge and corner-sharing CCe4W2 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the second C site, C(2) is bonded to four equivalent Ce(1) and two equivalent W(1) atoms to form a mixture of edge and corner-sharing CCe4W2 octahedra. The corner-sharing octahedral tilt angles range from 32-52°. is represented by the CIF card [CIF]
data_Ce2WC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.661
_cell_length_b   5.661
_cell_length_c   10.469
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   335.486
_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  0.186  0.186  0.343  1.0
  Ce  Ce1  1  0.314  0.686  0.843  1.0
  Ce  Ce2  1  0.686  0.314  0.843  1.0
  Ce  Ce3  1  0.686  0.314  0.157  1.0
  Ce  Ce4  1  0.314  0.686  0.157  1.0
  Ce  Ce5  1  0.186  0.186  0.657  1.0
  Ce  Ce6  1  0.814  0.814  0.343  1.0
  Ce  Ce7  1  0.814  0.814  0.657  1.0
  W  W8  1  0.321  0.679  0.500  1.0
  W  W9  1  0.821  0.821  0.000  1.0
  W  W10  1  0.179  0.179  0.000  1.0
  W  W11  1  0.679  0.321  0.500  1.0
  C  C12  1  0.000  0.000  0.144  1.0
  C  C13  1  0.500  0.500  0.644  1.0
  C  C14  1  0.500  0.000  0.500  1.0
  C  C15  1  0.500  0.500  0.356  1.0
  C  C16  1  0.000  0.000  0.856  1.0
  C  C17  1  0.500  0.000  0.000  1.0
  C  C18  1  0.000  0.500  0.000  1.0
  C  C19  1  0.000  0.500  0.500  1.0
[/CIF]
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The compound described by Ce2WC2 is Ilmenite-like structured and crystallizes in the tetragonal P4_2/mnm space group. Ce(1) is bonded in a 4-coordinate geometry to two equivalent C(1) and two equivalent C(2) atoms. W(1) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form a mixture of distorted edge and corner-sharing WC4 trigonal pyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded to four equivalent Ce(1) and two equivalent W(1) atoms to form a mixture of edge and corner-sharing CCe4W2 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the second C site, C(2) is bonded to four equivalent Ce(1) and two equivalent W(1) atoms to form a mixture of edge and corner-sharing CCe4W2 octahedra. The corner-sharing octahedral tilt angles range from 32-52°. is represented by the CIF card [CIF]
data_Ce2WC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.661
_cell_length_b   5.661
_cell_length_c   10.469
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   335.486
_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  0.186  0.186  0.343  1.0
  Ce  Ce1  1  0.314  0.686  0.843  1.0
  Ce  Ce2  1  0.686  0.314  0.843  1.0
  Ce  Ce3  1  0.686  0.314  0.157  1.0
  Ce  Ce4  1  0.314  0.686  0.157  1.0
  Ce  Ce5  1  0.186  0.186  0.657  1.0
  Ce  Ce6  1  0.814  0.814  0.343  1.0
  Ce  Ce7  1  0.814  0.814  0.657  1.0
  W  W8  1  0.321  0.679  0.500  1.0
  W  W9  1  0.821  0.821  0.000  1.0
  W  W10  1  0.179  0.179  0.000  1.0
  W  W11  1  0.679  0.321  0.500  1.0
  C  C12  1  0.000  0.000  0.144  1.0
  C  C13  1  0.500  0.500  0.644  1.0
  C  C14  1  0.500  0.000  0.500  1.0
  C  C15  1  0.500  0.500  0.356  1.0
  C  C16  1  0.000  0.000  0.856  1.0
  C  C17  1  0.500  0.000  0.000  1.0
  C  C18  1  0.000  0.500  0.000  1.0
  C  C19  1  0.000  0.500  0.500  1.0
[/CIF]
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