The structure described by CeCuZnP2 crystallizes in the trigonal P3m1 space group. Ce(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form distorted CeP6 octahedra that share corners with six equivalent Cu(1)P4 tetrahedra, corners with six equivalent Zn(1)P4 tetrahedra, edges with six equivalent Ce(1)P6 octahedra, edges with three equivalent Cu(1)P4 tetrahedra, and edges with three equivalent Zn(1)P4 tetrahedra. Cu(1) is bonded to one P(1) and three equivalent P(2) atoms to form distorted CuP4 tetrahedra that share corners with six equivalent Ce(1)P6 octahedra, corners with six equivalent Cu(1)P4 tetrahedra, edges with three equivalent Ce(1)P6 octahedra, and edges with three equivalent Zn(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-52°. Zn(1) is bonded to one P(2) and three equivalent P(1) atoms to form distorted ZnP4 tetrahedra that share corners with six equivalent Ce(1)P6 octahedra, corners with six equivalent Zn(1)P4 tetrahedra, edges with three equivalent Ce(1)P6 octahedra, and edges with three equivalent Cu(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-54°. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Ce(1), one Cu(1), and three equivalent Zn(1) atoms to form distorted PCe3Zn3Cu pentagonal bipyramids that share corners with three equivalent P(2)Ce3ZnCu3 pentagonal bipyramids, edges with six equivalent P(1)Ce3Zn3Cu pentagonal bipyramids, and edges with six equivalent P(2)Ce3ZnCu3 pentagonal bipyramids. In the second P site, P(2) is bonded to three equivalent Ce(1), three equivalent Cu(1), and one Zn(1) atom to form distorted PCe3ZnCu3 pentagonal bipyramids that share corners with three equivalent P(1)Ce3Zn3Cu pentagonal bipyramids, edges with six equivalent P(1)Ce3Zn3Cu pentagonal bipyramids, and edges with six equivalent P(2)Ce3ZnCu3 pentagonal bipyramids. is represented by the CIF card [CIF]
data_CeZnCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.004
_cell_length_b   4.004
_cell_length_c   6.654
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   92.380
_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  0.333  0.667  0.990  1.0
  Zn  Zn1  1  0.000  0.000  0.373  1.0
  Cu  Cu2  1  0.667  0.333  0.639  1.0
  P  P3  1  0.667  0.333  0.262  1.0
  P  P4  1  0.000  0.000  0.736  1.0
[/CIF]
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The structure described by CeCuZnP2 crystallizes in the trigonal P3m1 space group. Ce(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form distorted CeP6 octahedra that share corners with six equivalent Cu(1)P4 tetrahedra, corners with six equivalent Zn(1)P4 tetrahedra, edges with six equivalent Ce(1)P6 octahedra, edges with three equivalent Cu(1)P4 tetrahedra, and edges with three equivalent Zn(1)P4 tetrahedra. Cu(1) is bonded to one P(1) and three equivalent P(2) atoms to form distorted CuP4 tetrahedra that share corners with six equivalent Ce(1)P6 octahedra, corners with six equivalent Cu(1)P4 tetrahedra, edges with three equivalent Ce(1)P6 octahedra, and edges with three equivalent Zn(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-52°. Zn(1) is bonded to one P(2) and three equivalent P(1) atoms to form distorted ZnP4 tetrahedra that share corners with six equivalent Ce(1)P6 octahedra, corners with six equivalent Zn(1)P4 tetrahedra, edges with three equivalent Ce(1)P6 octahedra, and edges with three equivalent Cu(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-54°. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Ce(1), one Cu(1), and three equivalent Zn(1) atoms to form distorted PCe3Zn3Cu pentagonal bipyramids that share corners with three equivalent P(2)Ce3ZnCu3 pentagonal bipyramids, edges with six equivalent P(1)Ce3Zn3Cu pentagonal bipyramids, and edges with six equivalent P(2)Ce3ZnCu3 pentagonal bipyramids. In the second P site, P(2) is bonded to three equivalent Ce(1), three equivalent Cu(1), and one Zn(1) atom to form distorted PCe3ZnCu3 pentagonal bipyramids that share corners with three equivalent P(1)Ce3Zn3Cu pentagonal bipyramids, edges with six equivalent P(1)Ce3Zn3Cu pentagonal bipyramids, and edges with six equivalent P(2)Ce3ZnCu3 pentagonal bipyramids. is represented by the CIF card [CIF]
data_CeZnCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.004
_cell_length_b   4.004
_cell_length_c   6.654
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   92.380
_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  0.333  0.667  0.990  1.0
  Zn  Zn1  1  0.000  0.000  0.373  1.0
  Cu  Cu2  1  0.667  0.333  0.639  1.0
  P  P3  1  0.667  0.333  0.262  1.0
  P  P4  1  0.000  0.000  0.736  1.0
[/CIF]
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