Fe7Ni5P4 crystallizes in the triclinic P1 space group. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Ni(2), one Ni(3), one Ni(4), two equivalent Ni(1), one P(1), and one P(3) atom. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(3), one Ni(4), two equivalent Ni(2), one P(2), and one P(4) atom. In the third Fe site, Fe(3) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(2), one Ni(4), two equivalent Ni(3), one P(2), and one P(3) atom. In the fourth Fe site, Fe(4) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), two equivalent Ni(4), one P(1), and one P(4) atom. In the fifth Fe site, Fe(5) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), one P(3), one P(4), and two equivalent P(2) atoms. In the sixth Fe site, Fe(6) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(3), one Ni(4), one P(1), one P(2), and two equivalent P(3) atoms. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to one Ni(2), one Ni(3), one Ni(4), one P(1), one P(2), and two equivalent P(4) atoms. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 13-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), two equivalent Fe(1), one Ni(5), two equivalent Ni(2), one P(1), one P(2), and one P(3) atom. In the second Ni site, Ni(2) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(3), one Fe(4), one Fe(5), one Fe(7), two equivalent Fe(2), one Ni(5), two equivalent Ni(1), one P(1), one P(2), and one P(4) atom. In the third Ni site, Ni(3) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(2), one Fe(4), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(3), two equivalent Ni(4), one P(2), one P(3), and one P(4) atom. In the fourth Ni site, Ni(4) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), one Fe(6), one Fe(7), two equivalent Fe(4), one Ni(5), two equivalent Ni(3), one P(1), one P(3), and one P(4) atom. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Ni(4), one P(3), one P(4), and two equivalent P(1) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(4), one Fe(6), one Fe(7), one Ni(1), one Ni(2), one Ni(4), and two equivalent Ni(5) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Fe(2), one Fe(3), one Fe(6), one Fe(7), two equivalent Fe(5), one Ni(1), one Ni(2), and one Ni(3) atom. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(3), one Fe(5), two equivalent Fe(6), one Ni(1), one Ni(3), one Ni(4), and one Ni(5) atom. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Fe(2), one Fe(4), one Fe(5), two equivalent Fe(7), one Ni(2), one Ni(3), one Ni(4), and one Ni(5) atom.
Fe7Ni5P4 crystallizes in the triclinic P1 space group. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Ni(2), one Ni(3), one Ni(4), two equivalent Ni(1), one P(1), and one P(3) atom. The Fe(1)-Ni(2) bond length is 2.76 Å. The Fe(1)-Ni(3) bond length is 2.71 Å. The Fe(1)-Ni(4) bond length is 2.82 Å. There is one shorter (2.48 Å) and one longer (2.64 Å) Fe(1)-Ni(1) bond length. The Fe(1)-P(1) bond length is 2.32 Å. The Fe(1)-P(3) bond length is 2.34 Å. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(3), one Ni(4), two equivalent Ni(2), one P(2), and one P(4) atom. The Fe(2)-Ni(1) bond length is 2.75 Å. The Fe(2)-Ni(3) bond length is 2.82 Å. The Fe(2)-Ni(4) bond length is 2.74 Å. There is one shorter (2.50 Å) and one longer (2.62 Å) Fe(2)-Ni(2) bond length. The Fe(2)-P(2) bond length is 2.29 Å. The Fe(2)-P(4) bond length is 2.37 Å. In the third Fe site, Fe(3) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(2), one Ni(4), two equivalent Ni(3), one P(2), and one P(3) atom. The Fe(3)-Ni(1) bond length is 2.83 Å. The Fe(3)-Ni(2) bond length is 2.73 Å. The Fe(3)-Ni(4) bond length is 2.75 Å. There is one shorter (2.49 Å) and one longer (2.63 Å) Fe(3)-Ni(3) bond length. The Fe(3)-P(2) bond length is 2.37 Å. The Fe(3)-P(3) bond length is 2.29 Å. In the fourth Fe site, Fe(4) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), two equivalent Ni(4), one P(1), and one P(4) atom. The Fe(4)-Ni(1) bond length is 2.74 Å. The Fe(4)-Ni(2) bond length is 2.79 Å. The Fe(4)-Ni(3) bond length is 2.75 Å. There is one shorter (2.51 Å) and one longer (2.62 Å) Fe(4)-Ni(4) bond length. The Fe(4)-P(1) bond length is 2.37 Å. The Fe(4)-P(4) bond length is 2.29 Å. In the fifth Fe site, Fe(5) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), one P(3), one P(4), and two equivalent P(2) atoms. The Fe(5)-Ni(1) bond length is 2.56 Å. The Fe(5)-Ni(2) bond length is 2.62 Å. The Fe(5)-Ni(3) bond length is 2.54 Å. The Fe(5)-P(3) bond length is 2.30 Å. The Fe(5)-P(4) bond length is 2.30 Å. There is one shorter (2.27 Å) and one longer (2.30 Å) Fe(5)-P(2) bond length. In the sixth Fe site, Fe(6) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(3), one Ni(4), one P(1), one P(2), and two equivalent P(3) atoms. The Fe(6)-Ni(1) bond length is 2.54 Å. The Fe(6)-Ni(3) bond length is 2.60 Å. The Fe(6)-Ni(4) bond length is 2.56 Å. The Fe(6)-P(1) bond length is 2.31 Å. The Fe(6)-P(2) bond length is 2.29 Å. There is one shorter (2.28 Å) and one longer (2.30 Å) Fe(6)-P(3) bond length. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to one Ni(2), one Ni(3), one Ni(4), one P(1), one P(2), and two equivalent P(4) atoms. The Fe(7)-Ni(2) bond length is 2.54 Å. The Fe(7)-Ni(3) bond length is 2.54 Å. The Fe(7)-Ni(4) bond length is 2.64 Å. The Fe(7)-P(1) bond length is 2.33 Å. The Fe(7)-P(2) bond length is 2.29 Å. There is one shorter (2.27 Å) and one longer (2.31 Å) Fe(7)-P(4) bond length. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 13-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), two equivalent Fe(1), one Ni(5), two equivalent Ni(2), one P(1), one P(2), and one P(3) atom. The Ni(1)-Ni(5) bond length is 2.62 Å. There is one shorter (2.64 Å) and one longer (2.70 Å) Ni(1)-Ni(2) bond length. The Ni(1)-P(1) bond length is 2.20 Å. The Ni(1)-P(2) bond length is 2.38 Å. The Ni(1)-P(3) bond length is 2.30 Å. In the second Ni site, Ni(2) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(3), one Fe(4), one Fe(5), one Fe(7), two equivalent Fe(2), one Ni(5), two equivalent Ni(1), one P(1), one P(2), and one P(4) atom. The Ni(2)-Ni(5) bond length is 2.55 Å. The Ni(2)-P(1) bond length is 2.36 Å. The Ni(2)-P(2) bond length is 2.24 Å. The Ni(2)-P(4) bond length is 2.31 Å. In the third Ni site, Ni(3) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(2), one Fe(4), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(3), two equivalent Ni(4), one P(2), one P(3), and one P(4) atom. There is one shorter (2.66 Å) and one longer (2.69 Å) Ni(3)-Ni(4) bond length. The Ni(3)-P(2) bond length is 2.33 Å. The Ni(3)-P(3) bond length is 2.23 Å. The Ni(3)-P(4) bond length is 2.39 Å. In the fourth Ni site, Ni(4) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), one Fe(6), one Fe(7), two equivalent Fe(4), one Ni(5), two equivalent Ni(3), one P(1), one P(3), and one P(4) atom. The Ni(4)-Ni(5) bond length is 2.52 Å. The Ni(4)-P(1) bond length is 2.28 Å. The Ni(4)-P(3) bond length is 2.37 Å. The Ni(4)-P(4) bond length is 2.21 Å. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Ni(4), one P(3), one P(4), and two equivalent P(1) atoms. The Ni(5)-P(3) bond length is 2.33 Å. The Ni(5)-P(4) bond length is 2.31 Å. There is one shorter (2.29 Å) and one longer (2.30 Å) Ni(5)-P(1) bond length. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(4), one Fe(6), one Fe(7), one Ni(1), one Ni(2), one Ni(4), and two equivalent Ni(5) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Fe(2), one Fe(3), one Fe(6), one Fe(7), two equivalent Fe(5), one Ni(1), one Ni(2), and one Ni(3) atom. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(3), one Fe(5), two equivalent Fe(6), one Ni(1), one Ni(3), one Ni(4), and one Ni(5) atom. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Fe(2), one Fe(4), one Fe(5), two equivalent Fe(7), one Ni(2), one Ni(3), one Ni(4), and one Ni(5) atom.