The compound described by CuZnSmP2 crystallizes in the trigonal P3m1 space group. Sm(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form distorted SmP6 octahedra that share corners with six equivalent Cu(1)P4 tetrahedra, corners with six equivalent Zn(1)P4 tetrahedra, edges with six equivalent Sm(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 Sm(1)P6 octahedra, corners with six equivalent Cu(1)P4 tetrahedra, edges with three equivalent Sm(1)P6 octahedra, and edges with three equivalent Zn(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-51°. Zn(1) is bonded to one P(2) and three equivalent P(1) atoms to form ZnP4 tetrahedra that share corners with six equivalent Sm(1)P6 octahedra, corners with six equivalent Zn(1)P4 tetrahedra, edges with three equivalent Sm(1)P6 octahedra, and edges with three equivalent Cu(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-55°. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Sm(1), one Cu(1), and three equivalent Zn(1) atoms to form distorted PSm3Zn3Cu pentagonal bipyramids that share corners with three equivalent P(2)Sm3ZnCu3 pentagonal bipyramids, edges with six equivalent P(1)Sm3Zn3Cu pentagonal bipyramids, and edges with six equivalent P(2)Sm3ZnCu3 pentagonal bipyramids. In the second P site, P(2) is bonded to three equivalent Sm(1), three equivalent Cu(1), and one Zn(1) atom to form distorted PSm3ZnCu3 pentagonal bipyramids that share corners with three equivalent P(1)Sm3Zn3Cu pentagonal bipyramids, edges with six equivalent P(1)Sm3Zn3Cu pentagonal bipyramids, and edges with six equivalent P(2)Sm3ZnCu3 pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmZnCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.994
_cell_length_b   3.994
_cell_length_c   6.616
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   91.375
_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
  Sm  Sm0  1  0.667  0.333  0.015  1.0
  Zn  Zn1  1  0.333  0.667  0.625  1.0
  Cu  Cu2  1  0.000  0.000  0.359  1.0
  P  P3  1  0.000  0.000  0.737  1.0
  P  P4  1  0.333  0.667  0.263  1.0
[/CIF]
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The compound described by CuZnSmP2 crystallizes in the trigonal P3m1 space group. Sm(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form distorted SmP6 octahedra that share corners with six equivalent Cu(1)P4 tetrahedra, corners with six equivalent Zn(1)P4 tetrahedra, edges with six equivalent Sm(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 Sm(1)P6 octahedra, corners with six equivalent Cu(1)P4 tetrahedra, edges with three equivalent Sm(1)P6 octahedra, and edges with three equivalent Zn(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-51°. Zn(1) is bonded to one P(2) and three equivalent P(1) atoms to form ZnP4 tetrahedra that share corners with six equivalent Sm(1)P6 octahedra, corners with six equivalent Zn(1)P4 tetrahedra, edges with three equivalent Sm(1)P6 octahedra, and edges with three equivalent Cu(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-55°. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Sm(1), one Cu(1), and three equivalent Zn(1) atoms to form distorted PSm3Zn3Cu pentagonal bipyramids that share corners with three equivalent P(2)Sm3ZnCu3 pentagonal bipyramids, edges with six equivalent P(1)Sm3Zn3Cu pentagonal bipyramids, and edges with six equivalent P(2)Sm3ZnCu3 pentagonal bipyramids. In the second P site, P(2) is bonded to three equivalent Sm(1), three equivalent Cu(1), and one Zn(1) atom to form distorted PSm3ZnCu3 pentagonal bipyramids that share corners with three equivalent P(1)Sm3Zn3Cu pentagonal bipyramids, edges with six equivalent P(1)Sm3Zn3Cu pentagonal bipyramids, and edges with six equivalent P(2)Sm3ZnCu3 pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmZnCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.994
_cell_length_b   3.994
_cell_length_c   6.616
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   91.375
_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
  Sm  Sm0  1  0.667  0.333  0.015  1.0
  Zn  Zn1  1  0.333  0.667  0.625  1.0
  Cu  Cu2  1  0.000  0.000  0.359  1.0
  P  P3  1  0.000  0.000  0.737  1.0
  P  P4  1  0.333  0.667  0.263  1.0
[/CIF]
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