The material structure described by YbMnCuP2 crystallizes in the trigonal P3m1 space group. Yb(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form distorted YbP6 octahedra that share corners with six equivalent Mn(1)P4 tetrahedra, corners with six equivalent Cu(1)P4 tetrahedra, edges with six equivalent Yb(1)P6 octahedra, edges with three equivalent Mn(1)P4 tetrahedra, and edges with three equivalent Cu(1)P4 tetrahedra. Mn(1) is bonded to one P(2) and three equivalent P(1) atoms to form MnP4 tetrahedra that share corners with six equivalent Yb(1)P6 octahedra, corners with six equivalent Mn(1)P4 tetrahedra, edges with three equivalent Yb(1)P6 octahedra, and edges with three equivalent Cu(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-52°. 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 Yb(1)P6 octahedra, corners with six equivalent Cu(1)P4 tetrahedra, edges with three equivalent Yb(1)P6 octahedra, and edges with three equivalent Mn(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-50°. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to three equivalent Yb(1), three equivalent Mn(1), and one Cu(1) atom. In the second P site, P(2) is bonded in a 7-coordinate geometry to three equivalent Yb(1), one Mn(1), and three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_YbMnCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.897
_cell_length_b   3.897
_cell_length_c   6.527
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   85.832
_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
  Yb  Yb0  1  0.333  0.667  0.990  1.0
  Mn  Mn1  1  0.000  0.000  0.378  1.0
  Cu  Cu2  1  0.667  0.333  0.633  1.0
  P  P3  1  0.667  0.333  0.275  1.0
  P  P4  1  0.000  0.000  0.724  1.0
[/CIF]
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The material structure described by YbMnCuP2 crystallizes in the trigonal P3m1 space group. Yb(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form distorted YbP6 octahedra that share corners with six equivalent Mn(1)P4 tetrahedra, corners with six equivalent Cu(1)P4 tetrahedra, edges with six equivalent Yb(1)P6 octahedra, edges with three equivalent Mn(1)P4 tetrahedra, and edges with three equivalent Cu(1)P4 tetrahedra. Mn(1) is bonded to one P(2) and three equivalent P(1) atoms to form MnP4 tetrahedra that share corners with six equivalent Yb(1)P6 octahedra, corners with six equivalent Mn(1)P4 tetrahedra, edges with three equivalent Yb(1)P6 octahedra, and edges with three equivalent Cu(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-52°. 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 Yb(1)P6 octahedra, corners with six equivalent Cu(1)P4 tetrahedra, edges with three equivalent Yb(1)P6 octahedra, and edges with three equivalent Mn(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-50°. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to three equivalent Yb(1), three equivalent Mn(1), and one Cu(1) atom. In the second P site, P(2) is bonded in a 7-coordinate geometry to three equivalent Yb(1), one Mn(1), and three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_YbMnCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.897
_cell_length_b   3.897
_cell_length_c   6.527
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   85.832
_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
  Yb  Yb0  1  0.333  0.667  0.990  1.0
  Mn  Mn1  1  0.000  0.000  0.378  1.0
  Cu  Cu2  1  0.667  0.333  0.633  1.0
  P  P3  1  0.667  0.333  0.275  1.0
  P  P4  1  0.000  0.000  0.724  1.0
[/CIF]
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