Zr2Ni7 crystallizes in the monoclinic C2/m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 14-coordinate geometry to two equivalent Ni(3), four equivalent Ni(2), and eight equivalent Ni(1) atoms. In the second Zr site, Zr(2) is bonded in a 14-coordinate geometry to two equivalent Ni(3), four equivalent Ni(2), and eight equivalent Ni(4) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to four equivalent Zr(1), one Ni(3), two equivalent Ni(2), and five equivalent Ni(1) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Zr(1), two equivalent Zr(2), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms to form a mixture of edge, face, and corner-sharing NiZr4Ni8 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent Zr(1), two equivalent Zr(2), two equivalent Ni(1), two equivalent Ni(4), and four equivalent Ni(2) atoms to form a mixture of edge, face, and corner-sharing NiZr4Ni8 cuboctahedra. In the fourth Ni site, Ni(4) is bonded in a 12-coordinate geometry to four equivalent Zr(2), one Ni(3), two equivalent Ni(2), and five equivalent Ni(4) atoms.
Zr2Ni7 crystallizes in the monoclinic C2/m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 14-coordinate geometry to two equivalent Ni(3), four equivalent Ni(2), and eight equivalent Ni(1) atoms. There is one shorter (2.81 Å) and one longer (2.86 Å) Zr(1)-Ni(3) bond length. All Zr(1)-Ni(2) bond lengths are 2.84 Å. There are a spread of Zr(1)-Ni(1) bond distances ranging from 2.68-2.75 Å. In the second Zr site, Zr(2) is bonded in a 14-coordinate geometry to two equivalent Ni(3), four equivalent Ni(2), and eight equivalent Ni(4) atoms. There is one shorter (2.78 Å) and one longer (2.85 Å) Zr(2)-Ni(3) bond length. There are two shorter (2.82 Å) and two longer (2.88 Å) Zr(2)-Ni(2) bond lengths. There are a spread of Zr(2)-Ni(4) bond distances ranging from 2.68-2.75 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to four equivalent Zr(1), one Ni(3), two equivalent Ni(2), and five equivalent Ni(1) atoms. The Ni(1)-Ni(3) bond length is 2.46 Å. There is one shorter (2.44 Å) and one longer (2.46 Å) Ni(1)-Ni(2) bond length. There are a spread of Ni(1)-Ni(1) bond distances ranging from 2.38-2.70 Å. In the second Ni site, Ni(2) is bonded to two equivalent Zr(1), two equivalent Zr(2), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms to form a mixture of edge, face, and corner-sharing NiZr4Ni8 cuboctahedra. Both Ni(2)-Ni(2) bond lengths are 2.32 Å. There is one shorter (2.33 Å) and one longer (2.34 Å) Ni(2)-Ni(3) bond length. There is one shorter (2.45 Å) and one longer (2.47 Å) Ni(2)-Ni(4) bond length. In the third Ni site, Ni(3) is bonded to two equivalent Zr(1), two equivalent Zr(2), two equivalent Ni(1), two equivalent Ni(4), and four equivalent Ni(2) atoms to form a mixture of edge, face, and corner-sharing NiZr4Ni8 cuboctahedra. Both Ni(3)-Ni(4) bond lengths are 2.45 Å. In the fourth Ni site, Ni(4) is bonded in a 12-coordinate geometry to four equivalent Zr(2), one Ni(3), two equivalent Ni(2), and five equivalent Ni(4) atoms. There are a spread of Ni(4)-Ni(4) bond distances ranging from 2.40-2.71 Å.