The structure described by LiCe(CuP)2 crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent Cu(1) and six equivalent P(1) atoms to form distorted LiCu6P6 cuboctahedra that share corners with twelve equivalent Ce(1)P6 octahedra, faces with six equivalent Li(1)Cu6P6 cuboctahedra, and faces with two equivalent Ce(1)P6 octahedra. The corner-sharing octahedral tilt angles are 48°. Ce(1) is bonded to six equivalent P(1) atoms to form distorted CeP6 octahedra that share corners with twelve equivalent Li(1)Cu6P6 cuboctahedra, edges with six equivalent Ce(1)P6 octahedra, and faces with two equivalent Li(1)Cu6P6 cuboctahedra. Cu(1) is bonded in a 7-coordinate geometry to three equivalent Li(1) and four equivalent P(1) atoms. P(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Ce(1), and four equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_LiCe(CuP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.014
_cell_length_b   4.014
_cell_length_c   6.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   94.033
_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
  Li  Li0  1  0.000  0.000  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.667  0.333  0.661  1.0
  Cu  Cu3  1  0.333  0.667  0.339  1.0
  P  P4  1  0.667  0.333  0.269  1.0
  P  P5  1  0.333  0.667  0.731  1.0
[/CIF]
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The structure described by LiCe(CuP)2 crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent Cu(1) and six equivalent P(1) atoms to form distorted LiCu6P6 cuboctahedra that share corners with twelve equivalent Ce(1)P6 octahedra, faces with six equivalent Li(1)Cu6P6 cuboctahedra, and faces with two equivalent Ce(1)P6 octahedra. The corner-sharing octahedral tilt angles are 48°. Ce(1) is bonded to six equivalent P(1) atoms to form distorted CeP6 octahedra that share corners with twelve equivalent Li(1)Cu6P6 cuboctahedra, edges with six equivalent Ce(1)P6 octahedra, and faces with two equivalent Li(1)Cu6P6 cuboctahedra. Cu(1) is bonded in a 7-coordinate geometry to three equivalent Li(1) and four equivalent P(1) atoms. P(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Ce(1), and four equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_LiCe(CuP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.014
_cell_length_b   4.014
_cell_length_c   6.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   94.033
_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
  Li  Li0  1  0.000  0.000  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.667  0.333  0.661  1.0
  Cu  Cu3  1  0.333  0.667  0.339  1.0
  P  P4  1  0.667  0.333  0.269  1.0
  P  P5  1  0.333  0.667  0.731  1.0
[/CIF]
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