The material described by BaCe1 crystallizes in the hexagonal P-6m2 space group. Ba(1) is bonded to six equivalent Ba(1) and six equivalent Ce(1) atoms to form BaBa6Ce6 cuboctahedra that share corners with eighteen equivalent Ba(1)Ba6Ce6 cuboctahedra, edges with six equivalent Ba(1)Ba6Ce6 cuboctahedra, edges with twelve equivalent Ce(1)Ba6Ce6 cuboctahedra, faces with eight equivalent Ba(1)Ba6Ce6 cuboctahedra, and faces with twelve equivalent Ce(1)Ba6Ce6 cuboctahedra. Ce(1) is bonded to six equivalent Ba(1) and six equivalent Ce(1) atoms to form CeBa6Ce6 cuboctahedra that share corners with eighteen equivalent Ce(1)Ba6Ce6 cuboctahedra, edges with six equivalent Ce(1)Ba6Ce6 cuboctahedra, edges with twelve equivalent Ba(1)Ba6Ce6 cuboctahedra, faces with eight equivalent Ce(1)Ba6Ce6 cuboctahedra, and faces with twelve equivalent Ba(1)Ba6Ce6 cuboctahedra. is represented by the CIF card [CIF]
data_BaCe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.918
_cell_length_b   3.918
_cell_length_c   6.620
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   87.997
_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
  Ba  Ba0  1  0.000  0.000  0.500  1.0
  Ce  Ce1  1  0.667  0.333  0.000  1.0
[/CIF]
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The material described by BaCe1 crystallizes in the hexagonal P-6m2 space group. Ba(1) is bonded to six equivalent Ba(1) and six equivalent Ce(1) atoms to form BaBa6Ce6 cuboctahedra that share corners with eighteen equivalent Ba(1)Ba6Ce6 cuboctahedra, edges with six equivalent Ba(1)Ba6Ce6 cuboctahedra, edges with twelve equivalent Ce(1)Ba6Ce6 cuboctahedra, faces with eight equivalent Ba(1)Ba6Ce6 cuboctahedra, and faces with twelve equivalent Ce(1)Ba6Ce6 cuboctahedra. Ce(1) is bonded to six equivalent Ba(1) and six equivalent Ce(1) atoms to form CeBa6Ce6 cuboctahedra that share corners with eighteen equivalent Ce(1)Ba6Ce6 cuboctahedra, edges with six equivalent Ce(1)Ba6Ce6 cuboctahedra, edges with twelve equivalent Ba(1)Ba6Ce6 cuboctahedra, faces with eight equivalent Ce(1)Ba6Ce6 cuboctahedra, and faces with twelve equivalent Ba(1)Ba6Ce6 cuboctahedra. is represented by the CIF card [CIF]
data_BaCe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.918
_cell_length_b   3.918
_cell_length_c   6.620
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   87.997
_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
  Ba  Ba0  1  0.000  0.000  0.500  1.0
  Ce  Ce1  1  0.667  0.333  0.000  1.0
[/CIF]
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