Ni5P4 crystallizes in the hexagonal P6_3mc space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(3), and two equivalent P(4) atoms. In the second Ni site, Ni(2) is bonded in a distorted trigonal pyramidal geometry to one P(2) and three equivalent P(4) atoms. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to one P(1), one P(3), and two equivalent P(4) atoms. In the fourth Ni site, Ni(4) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(3), and two equivalent P(4) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a q6 geometry to three equivalent Ni(1), three equivalent Ni(3), and three equivalent Ni(4) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one Ni(2) and three equivalent P(3) atoms. In the third P site, P(3) is bonded in a 6-coordinate geometry to one Ni(3), two equivalent Ni(1), two equivalent Ni(4), and one P(2) atom. In the fourth P site, P(4) is bonded in a 7-coordinate geometry to one Ni(2), two equivalent Ni(1), two equivalent Ni(3), and two equivalent Ni(4) atoms.
Ni5P4 crystallizes in the hexagonal P6_3mc space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(3), and two equivalent P(4) atoms. The Ni(1)-P(1) bond length is 2.46 Å. Both Ni(1)-P(3) bond lengths are 2.28 Å. Both Ni(1)-P(4) bond lengths are 2.31 Å. In the second Ni site, Ni(2) is bonded in a distorted trigonal pyramidal geometry to one P(2) and three equivalent P(4) atoms. The Ni(2)-P(2) bond length is 2.17 Å. All Ni(2)-P(4) bond lengths are 2.14 Å. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to one P(1), one P(3), and two equivalent P(4) atoms. The Ni(3)-P(1) bond length is 2.45 Å. The Ni(3)-P(3) bond length is 2.25 Å. Both Ni(3)-P(4) bond lengths are 2.28 Å. In the fourth Ni site, Ni(4) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(3), and two equivalent P(4) atoms. The Ni(4)-P(1) bond length is 2.40 Å. Both Ni(4)-P(3) bond lengths are 2.32 Å. Both Ni(4)-P(4) bond lengths are 2.27 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded in a q6 geometry to three equivalent Ni(1), three equivalent Ni(3), and three equivalent Ni(4) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one Ni(2) and three equivalent P(3) atoms. All P(2)-P(3) bond lengths are 2.18 Å. In the third P site, P(3) is bonded in a 6-coordinate geometry to one Ni(3), two equivalent Ni(1), two equivalent Ni(4), and one P(2) atom. In the fourth P site, P(4) is bonded in a 7-coordinate geometry to one Ni(2), two equivalent Ni(1), two equivalent Ni(3), and two equivalent Ni(4) atoms.