The material structure described by LiY(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 edges with twelve equivalent Y(1)Cu6P6 octahedra, faces with six equivalent Li(1)Cu6P6 cuboctahedra, and faces with two equivalent Y(1)Cu6P6 octahedra. Y(1) is bonded to six equivalent Cu(1) and six equivalent P(1) atoms to form distorted YCu6P6 octahedra that share edges with twelve equivalent Li(1)Cu6P6 cuboctahedra, faces with two equivalent Li(1)Cu6P6 cuboctahedra, and faces with six equivalent Y(1)Cu6P6 octahedra. Cu(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Y(1), and four equivalent P(1) atoms. P(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Y(1), and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_LiY(CuP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.980
_cell_length_b   3.980
_cell_length_c   6.569
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   90.087
_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
  Y  Y1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.667  0.333  0.668  1.0
  Cu  Cu3  1  0.333  0.667  0.332  1.0
  P  P4  1  0.667  0.333  0.262  1.0
  P  P5  1  0.333  0.667  0.738  1.0
[/CIF]
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The material structure described by LiY(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 edges with twelve equivalent Y(1)Cu6P6 octahedra, faces with six equivalent Li(1)Cu6P6 cuboctahedra, and faces with two equivalent Y(1)Cu6P6 octahedra. Y(1) is bonded to six equivalent Cu(1) and six equivalent P(1) atoms to form distorted YCu6P6 octahedra that share edges with twelve equivalent Li(1)Cu6P6 cuboctahedra, faces with two equivalent Li(1)Cu6P6 cuboctahedra, and faces with six equivalent Y(1)Cu6P6 octahedra. Cu(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Y(1), and four equivalent P(1) atoms. P(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Y(1), and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_LiY(CuP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.980
_cell_length_b   3.980
_cell_length_c   6.569
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   90.087
_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
  Y  Y1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.667  0.333  0.668  1.0
  Cu  Cu3  1  0.333  0.667  0.332  1.0
  P  P4  1  0.667  0.333  0.262  1.0
  P  P5  1  0.333  0.667  0.738  1.0
[/CIF]
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