The compound described by ErCuZnP2 crystallizes in the trigonal P3m1 space group. Er(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form distorted ErP6 octahedra that share corners with six equivalent Cu(1)P4 tetrahedra, corners with six equivalent Zn(1)P4 tetrahedra, edges with six equivalent Er(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 Er(1)P6 octahedra, corners with six equivalent Cu(1)P4 tetrahedra, edges with three equivalent Er(1)P6 octahedra, and edges with three equivalent Zn(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-53°. 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 Er(1)P6 octahedra, corners with six equivalent Zn(1)P4 tetrahedra, edges with three equivalent Er(1)P6 octahedra, and edges with three equivalent Cu(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-56°. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Er(1), one Cu(1), and three equivalent Zn(1) atoms to form distorted PEr3Zn3Cu pentagonal bipyramids that share corners with three equivalent P(2)Er3ZnCu3 pentagonal bipyramids, edges with six equivalent P(1)Er3Zn3Cu pentagonal bipyramids, and edges with six equivalent P(2)Er3ZnCu3 pentagonal bipyramids. In the second P site, P(2) is bonded to three equivalent Er(1), three equivalent Cu(1), and one Zn(1) atom to form distorted PEr3ZnCu3 pentagonal bipyramids that share corners with three equivalent P(1)Er3Zn3Cu pentagonal bipyramids, edges with six equivalent P(1)Er3Zn3Cu pentagonal bipyramids, and edges with six equivalent P(2)Er3ZnCu3 pentagonal bipyramids. is represented by the CIF card [CIF]
data_ErZnCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.965
_cell_length_b   3.965
_cell_length_c   6.495
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   88.454
_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
  Er  Er0  1  0.000  0.000  0.984  1.0
  Zn  Zn1  1  0.333  0.667  0.376  1.0
  Cu  Cu2  1  0.667  0.333  0.639  1.0
  P  P3  1  0.667  0.333  0.253  1.0
  P  P4  1  0.333  0.667  0.749  1.0
[/CIF]
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The compound described by ErCuZnP2 crystallizes in the trigonal P3m1 space group. Er(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form distorted ErP6 octahedra that share corners with six equivalent Cu(1)P4 tetrahedra, corners with six equivalent Zn(1)P4 tetrahedra, edges with six equivalent Er(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 Er(1)P6 octahedra, corners with six equivalent Cu(1)P4 tetrahedra, edges with three equivalent Er(1)P6 octahedra, and edges with three equivalent Zn(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-53°. 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 Er(1)P6 octahedra, corners with six equivalent Zn(1)P4 tetrahedra, edges with three equivalent Er(1)P6 octahedra, and edges with three equivalent Cu(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-56°. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Er(1), one Cu(1), and three equivalent Zn(1) atoms to form distorted PEr3Zn3Cu pentagonal bipyramids that share corners with three equivalent P(2)Er3ZnCu3 pentagonal bipyramids, edges with six equivalent P(1)Er3Zn3Cu pentagonal bipyramids, and edges with six equivalent P(2)Er3ZnCu3 pentagonal bipyramids. In the second P site, P(2) is bonded to three equivalent Er(1), three equivalent Cu(1), and one Zn(1) atom to form distorted PEr3ZnCu3 pentagonal bipyramids that share corners with three equivalent P(1)Er3Zn3Cu pentagonal bipyramids, edges with six equivalent P(1)Er3Zn3Cu pentagonal bipyramids, and edges with six equivalent P(2)Er3ZnCu3 pentagonal bipyramids. is represented by the CIF card [CIF]
data_ErZnCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.965
_cell_length_b   3.965
_cell_length_c   6.495
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   88.454
_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
  Er  Er0  1  0.000  0.000  0.984  1.0
  Zn  Zn1  1  0.333  0.667  0.376  1.0
  Cu  Cu2  1  0.667  0.333  0.639  1.0
  P  P3  1  0.667  0.333  0.253  1.0
  P  P4  1  0.333  0.667  0.749  1.0
[/CIF]
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