The crystal structure described by CuSi2P3 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. Cu(1) is bonded to one P(1) and three equivalent P(3) atoms to form CuP4 tetrahedra that share corners with three equivalent Si(1)P4 tetrahedra, corners with three equivalent Si(2)P4 tetrahedra, and corners with six equivalent Cu(1)P4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one P(2) and three equivalent P(1) atoms to form SiP4 tetrahedra that share corners with three equivalent Cu(1)P4 tetrahedra, corners with three equivalent Si(2)P4 tetrahedra, and corners with six equivalent Si(1)P4 tetrahedra. In the second Si site, Si(2) is bonded to one P(3) and three equivalent P(2) atoms to form SiP4 tetrahedra that share corners with three equivalent Cu(1)P4 tetrahedra, corners with three equivalent Si(1)P4 tetrahedra, and corners with six equivalent Si(2)P4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Cu(1) and three equivalent Si(1) atoms to form PCuSi3 tetrahedra that share corners with three equivalent P(3)Cu3Si tetrahedra, corners with three equivalent P(2)Si4 tetrahedra, and corners with six equivalent P(1)CuSi3 tetrahedra. In the second P site, P(2) is bonded to one Si(1) and three equivalent Si(2) atoms to form PSi4 tetrahedra that share corners with three equivalent P(3)Cu3Si tetrahedra, corners with three equivalent P(1)CuSi3 tetrahedra, and corners with six equivalent P(2)Si4 tetrahedra. In the third P site, P(3) is bonded to three equivalent Cu(1) and one Si(2) atom to form PCu3Si tetrahedra that share corners with three equivalent P(1)CuSi3 tetrahedra, corners with three equivalent P(2)Si4 tetrahedra, and corners with six equivalent P(3)Cu3Si tetrahedra. is represented by the CIF file [CIF]
data_CuSi2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.732
_cell_length_b   3.732
_cell_length_c   9.086
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   109.588
_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
  Cu  Cu0  1  0.333  0.667  0.737  1.0
  Si  Si1  1  0.667  0.333  0.083  1.0
  Si  Si2  1  0.000  0.000  0.433  1.0
  P  P3  1  0.333  0.667  0.992  1.0
  P  P4  1  0.667  0.333  0.335  1.0
  P  P5  1  0.000  0.000  0.670  1.0
[/CIF]
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The crystal structure described by CuSi2P3 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. Cu(1) is bonded to one P(1) and three equivalent P(3) atoms to form CuP4 tetrahedra that share corners with three equivalent Si(1)P4 tetrahedra, corners with three equivalent Si(2)P4 tetrahedra, and corners with six equivalent Cu(1)P4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one P(2) and three equivalent P(1) atoms to form SiP4 tetrahedra that share corners with three equivalent Cu(1)P4 tetrahedra, corners with three equivalent Si(2)P4 tetrahedra, and corners with six equivalent Si(1)P4 tetrahedra. In the second Si site, Si(2) is bonded to one P(3) and three equivalent P(2) atoms to form SiP4 tetrahedra that share corners with three equivalent Cu(1)P4 tetrahedra, corners with three equivalent Si(1)P4 tetrahedra, and corners with six equivalent Si(2)P4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Cu(1) and three equivalent Si(1) atoms to form PCuSi3 tetrahedra that share corners with three equivalent P(3)Cu3Si tetrahedra, corners with three equivalent P(2)Si4 tetrahedra, and corners with six equivalent P(1)CuSi3 tetrahedra. In the second P site, P(2) is bonded to one Si(1) and three equivalent Si(2) atoms to form PSi4 tetrahedra that share corners with three equivalent P(3)Cu3Si tetrahedra, corners with three equivalent P(1)CuSi3 tetrahedra, and corners with six equivalent P(2)Si4 tetrahedra. In the third P site, P(3) is bonded to three equivalent Cu(1) and one Si(2) atom to form PCu3Si tetrahedra that share corners with three equivalent P(1)CuSi3 tetrahedra, corners with three equivalent P(2)Si4 tetrahedra, and corners with six equivalent P(3)Cu3Si tetrahedra. is represented by the CIF file [CIF]
data_CuSi2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.732
_cell_length_b   3.732
_cell_length_c   9.086
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   109.588
_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
  Cu  Cu0  1  0.333  0.667  0.737  1.0
  Si  Si1  1  0.667  0.333  0.083  1.0
  Si  Si2  1  0.000  0.000  0.433  1.0
  P  P3  1  0.333  0.667  0.992  1.0
  P  P4  1  0.667  0.333  0.335  1.0
  P  P5  1  0.000  0.000  0.670  1.0
[/CIF]
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