The structure described by Cu3P crystallizes in the trigonal P-3c1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to one Cu(3), three equivalent Cu(2), four equivalent Cu(1), and four equivalent P(1) atoms. In the second Cu site, Cu(3) is bonded to six equivalent Cu(1) and six equivalent P(1) atoms to form face-sharing CuCu6P6 cuboctahedra. In the third Cu site, Cu(2) is bonded in a 3-coordinate geometry to nine equivalent Cu(1) and three equivalent P(1) atoms. P(1) is bonded in a 12-coordinate geometry to two equivalent Cu(2), two equivalent Cu(3), and eight equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Cu3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.958
_cell_length_b   6.958
_cell_length_c   7.148
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   299.709
_cell_formula_units_Z   6
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
  Cu  Cu0  1  0.683  0.068  0.079  1.0
  Cu  Cu1  1  0.932  0.615  0.079  1.0
  Cu  Cu2  1  0.385  0.317  0.079  1.0
  Cu  Cu3  1  0.615  0.932  0.421  1.0
  Cu  Cu4  1  0.317  0.385  0.421  1.0
  Cu  Cu5  1  0.068  0.683  0.421  1.0
  Cu  Cu6  1  0.317  0.932  0.921  1.0
  Cu  Cu7  1  0.068  0.385  0.921  1.0
  Cu  Cu8  1  0.615  0.683  0.921  1.0
  Cu  Cu9  1  0.385  0.068  0.579  1.0
  Cu  Cu10  1  0.683  0.615  0.579  1.0
  Cu  Cu11  1  0.932  0.317  0.579  1.0
  Cu  Cu12  1  0.333  0.667  0.673  1.0
  Cu  Cu13  1  0.667  0.333  0.827  1.0
  Cu  Cu14  1  0.667  0.333  0.327  1.0
  Cu  Cu15  1  0.333  0.667  0.173  1.0
  Cu  Cu16  1  0.000  0.000  0.500  1.0
  Cu  Cu17  1  0.000  0.000  0.000  1.0
  P  P18  1  0.320  0.320  0.750  1.0
  P  P19  1  0.000  0.680  0.750  1.0
  P  P20  1  0.680  0.000  0.750  1.0
  P  P21  1  0.680  0.680  0.250  1.0
  P  P22  1  0.000  0.320  0.250  1.0
  P  P23  1  0.320  0.000  0.250  1.0
[/CIF]
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The structure described by Cu3P crystallizes in the trigonal P-3c1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to one Cu(3), three equivalent Cu(2), four equivalent Cu(1), and four equivalent P(1) atoms. In the second Cu site, Cu(3) is bonded to six equivalent Cu(1) and six equivalent P(1) atoms to form face-sharing CuCu6P6 cuboctahedra. In the third Cu site, Cu(2) is bonded in a 3-coordinate geometry to nine equivalent Cu(1) and three equivalent P(1) atoms. P(1) is bonded in a 12-coordinate geometry to two equivalent Cu(2), two equivalent Cu(3), and eight equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Cu3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.958
_cell_length_b   6.958
_cell_length_c   7.148
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   299.709
_cell_formula_units_Z   6
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
  Cu  Cu0  1  0.683  0.068  0.079  1.0
  Cu  Cu1  1  0.932  0.615  0.079  1.0
  Cu  Cu2  1  0.385  0.317  0.079  1.0
  Cu  Cu3  1  0.615  0.932  0.421  1.0
  Cu  Cu4  1  0.317  0.385  0.421  1.0
  Cu  Cu5  1  0.068  0.683  0.421  1.0
  Cu  Cu6  1  0.317  0.932  0.921  1.0
  Cu  Cu7  1  0.068  0.385  0.921  1.0
  Cu  Cu8  1  0.615  0.683  0.921  1.0
  Cu  Cu9  1  0.385  0.068  0.579  1.0
  Cu  Cu10  1  0.683  0.615  0.579  1.0
  Cu  Cu11  1  0.932  0.317  0.579  1.0
  Cu  Cu12  1  0.333  0.667  0.673  1.0
  Cu  Cu13  1  0.667  0.333  0.827  1.0
  Cu  Cu14  1  0.667  0.333  0.327  1.0
  Cu  Cu15  1  0.333  0.667  0.173  1.0
  Cu  Cu16  1  0.000  0.000  0.500  1.0
  Cu  Cu17  1  0.000  0.000  0.000  1.0
  P  P18  1  0.320  0.320  0.750  1.0
  P  P19  1  0.000  0.680  0.750  1.0
  P  P20  1  0.680  0.000  0.750  1.0
  P  P21  1  0.680  0.680  0.250  1.0
  P  P22  1  0.000  0.320  0.250  1.0
  P  P23  1  0.320  0.000  0.250  1.0
[/CIF]
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