The compound described by Ni5P2 crystallizes in the hexagonal P6_3cm space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one P(1) and three equivalent P(3) atoms to form distorted corner-sharing NiP4 tetrahedra. In the second Ni site, Ni(2) is bonded to three equivalent Ni(4), one P(2), and three equivalent P(3) atoms to form distorted NiNi3P4 tetrahedra that share corners with three equivalent Ni(1)P4 tetrahedra and edges with three equivalent Ni(2)Ni3P4 tetrahedra. In the third Ni site, Ni(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni(4), one P(1), and two equivalent P(3) atoms. In the fourth Ni site, Ni(4) is bonded in a 13-coordinate geometry to one Ni(6), two equivalent Ni(2), three equivalent Ni(3), three equivalent Ni(5), one P(1), one P(3), and two equivalent P(2) atoms. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to three equivalent Ni(4), one P(1), one P(3), and two equivalent P(2) atoms. In the sixth Ni site, Ni(6) is bonded in a distorted single-bond geometry to one Ni(4), two equivalent P(2), and three equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(2) is bonded in a 10-coordinate geometry to one Ni(2), three equivalent Ni(4), three equivalent Ni(5), and three equivalent Ni(6) atoms. In the second P site, P(3) is bonded in a 10-coordinate geometry to one Ni(1), one Ni(4), one Ni(5), two equivalent Ni(2), two equivalent Ni(3), and three equivalent Ni(6) atoms. In the third P site, P(1) is bonded in a 10-coordinate geometry to one Ni(1), three equivalent Ni(3), three equivalent Ni(4), and three equivalent Ni(5) atoms. is represented by the CIF file [CIF]
data_Ni5P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.547
_cell_length_b   6.547
_cell_length_c   12.240
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   454.394
_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
  Ni  Ni0  1  1.000  0.000  0.575  1.0
  Ni  Ni1  1  0.000  0.000  0.075  1.0
  Ni  Ni2  1  0.667  0.333  0.437  1.0
  Ni  Ni3  1  0.333  0.667  0.437  1.0
  Ni  Ni4  1  0.333  0.667  0.937  1.0
  Ni  Ni5  1  0.667  0.333  0.937  1.0
  Ni  Ni6  1  0.765  0.000  0.404  1.0
  Ni  Ni7  1  0.235  0.235  0.404  1.0
  Ni  Ni8  1  0.000  0.765  0.404  1.0
  Ni  Ni9  1  0.235  0.000  0.904  1.0
  Ni  Ni10  1  0.765  0.765  0.904  1.0
  Ni  Ni11  1  1.000  0.235  0.904  1.0
  Ni  Ni12  1  0.383  0.000  0.305  1.0
  Ni  Ni13  1  0.617  0.617  0.305  1.0
  Ni  Ni14  1  1.000  0.383  0.305  1.0
  Ni  Ni15  1  0.617  0.000  0.805  1.0
  Ni  Ni16  1  0.383  0.383  0.805  1.0
  Ni  Ni17  1  0.000  0.617  0.805  1.0
  Ni  Ni18  1  0.694  0.000  0.196  1.0
  Ni  Ni19  1  0.306  0.306  0.196  1.0
  Ni  Ni20  1  0.000  0.694  0.196  1.0
  Ni  Ni21  1  0.306  0.000  0.696  1.0
  Ni  Ni22  1  0.694  0.694  0.696  1.0
  Ni  Ni23  1  0.000  0.306  0.696  1.0
  Ni  Ni24  1  0.385  0.000  0.088  1.0
  Ni  Ni25  1  0.615  0.615  0.088  1.0
  Ni  Ni26  1  0.000  0.385  0.088  1.0
  Ni  Ni27  1  0.615  0.000  0.588  1.0
  Ni  Ni28  1  0.385  0.385  0.588  1.0
  Ni  Ni29  1  1.000  0.615  0.588  1.0
  P  P30  1  0.000  0.000  0.269  1.0
  P  P31  1  1.000  0.000  0.769  1.0
  P  P32  1  0.667  0.333  0.232  1.0
  P  P33  1  0.333  0.667  0.232  1.0
  P  P34  1  0.333  0.667  0.732  1.0
  P  P35  1  0.667  0.333  0.732  1.0
  P  P36  1  0.325  0.000  0.502  1.0
  P  P37  1  0.675  0.675  0.502  1.0
  P  P38  1  0.000  0.325  0.502  1.0
  P  P39  1  0.675  0.000  0.002  1.0
  P  P40  1  0.325  0.325  0.002  1.0
  P  P41  1  1.000  0.675  0.002  1.0
[/CIF]
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The compound described by Ni5P2 crystallizes in the hexagonal P6_3cm space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one P(1) and three equivalent P(3) atoms to form distorted corner-sharing NiP4 tetrahedra. In the second Ni site, Ni(2) is bonded to three equivalent Ni(4), one P(2), and three equivalent P(3) atoms to form distorted NiNi3P4 tetrahedra that share corners with three equivalent Ni(1)P4 tetrahedra and edges with three equivalent Ni(2)Ni3P4 tetrahedra. In the third Ni site, Ni(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni(4), one P(1), and two equivalent P(3) atoms. In the fourth Ni site, Ni(4) is bonded in a 13-coordinate geometry to one Ni(6), two equivalent Ni(2), three equivalent Ni(3), three equivalent Ni(5), one P(1), one P(3), and two equivalent P(2) atoms. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to three equivalent Ni(4), one P(1), one P(3), and two equivalent P(2) atoms. In the sixth Ni site, Ni(6) is bonded in a distorted single-bond geometry to one Ni(4), two equivalent P(2), and three equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(2) is bonded in a 10-coordinate geometry to one Ni(2), three equivalent Ni(4), three equivalent Ni(5), and three equivalent Ni(6) atoms. In the second P site, P(3) is bonded in a 10-coordinate geometry to one Ni(1), one Ni(4), one Ni(5), two equivalent Ni(2), two equivalent Ni(3), and three equivalent Ni(6) atoms. In the third P site, P(1) is bonded in a 10-coordinate geometry to one Ni(1), three equivalent Ni(3), three equivalent Ni(4), and three equivalent Ni(5) atoms. is represented by the CIF file [CIF]
data_Ni5P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.547
_cell_length_b   6.547
_cell_length_c   12.240
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   454.394
_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
  Ni  Ni0  1  1.000  0.000  0.575  1.0
  Ni  Ni1  1  0.000  0.000  0.075  1.0
  Ni  Ni2  1  0.667  0.333  0.437  1.0
  Ni  Ni3  1  0.333  0.667  0.437  1.0
  Ni  Ni4  1  0.333  0.667  0.937  1.0
  Ni  Ni5  1  0.667  0.333  0.937  1.0
  Ni  Ni6  1  0.765  0.000  0.404  1.0
  Ni  Ni7  1  0.235  0.235  0.404  1.0
  Ni  Ni8  1  0.000  0.765  0.404  1.0
  Ni  Ni9  1  0.235  0.000  0.904  1.0
  Ni  Ni10  1  0.765  0.765  0.904  1.0
  Ni  Ni11  1  1.000  0.235  0.904  1.0
  Ni  Ni12  1  0.383  0.000  0.305  1.0
  Ni  Ni13  1  0.617  0.617  0.305  1.0
  Ni  Ni14  1  1.000  0.383  0.305  1.0
  Ni  Ni15  1  0.617  0.000  0.805  1.0
  Ni  Ni16  1  0.383  0.383  0.805  1.0
  Ni  Ni17  1  0.000  0.617  0.805  1.0
  Ni  Ni18  1  0.694  0.000  0.196  1.0
  Ni  Ni19  1  0.306  0.306  0.196  1.0
  Ni  Ni20  1  0.000  0.694  0.196  1.0
  Ni  Ni21  1  0.306  0.000  0.696  1.0
  Ni  Ni22  1  0.694  0.694  0.696  1.0
  Ni  Ni23  1  0.000  0.306  0.696  1.0
  Ni  Ni24  1  0.385  0.000  0.088  1.0
  Ni  Ni25  1  0.615  0.615  0.088  1.0
  Ni  Ni26  1  0.000  0.385  0.088  1.0
  Ni  Ni27  1  0.615  0.000  0.588  1.0
  Ni  Ni28  1  0.385  0.385  0.588  1.0
  Ni  Ni29  1  1.000  0.615  0.588  1.0
  P  P30  1  0.000  0.000  0.269  1.0
  P  P31  1  1.000  0.000  0.769  1.0
  P  P32  1  0.667  0.333  0.232  1.0
  P  P33  1  0.333  0.667  0.232  1.0
  P  P34  1  0.333  0.667  0.732  1.0
  P  P35  1  0.667  0.333  0.732  1.0
  P  P36  1  0.325  0.000  0.502  1.0
  P  P37  1  0.675  0.675  0.502  1.0
  P  P38  1  0.000  0.325  0.502  1.0
  P  P39  1  0.675  0.000  0.002  1.0
  P  P40  1  0.325  0.325  0.002  1.0
  P  P41  1  1.000  0.675  0.002  1.0
[/CIF]
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