Ni6Cl7 crystallizes in the triclinic P-1 space group. There are seven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Cl(1), one Cl(2), two equivalent Cl(6), and two equivalent Cl(7) atoms to form a mixture of corner and edge-sharing NiCl6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the second Ni site, Ni(2) is bonded to one Cl(3), one Cl(7), two equivalent Cl(1), and two equivalent Cl(6) atoms to form a mixture of corner and edge-sharing NiCl6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the third Ni site, Ni(3) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(6), and one Cl(7) atom to form a mixture of corner and edge-sharing NiCl6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the fourth Ni site, Ni(4) is bonded to two equivalent Cl(2), two equivalent Cl(4), and two equivalent Cl(5) atoms to form a mixture of corner and edge-sharing NiCl6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fifth Ni site, Ni(5) is bonded to two equivalent Cl(3), two equivalent Cl(4), and two equivalent Cl(5) atoms to form a mixture of corner and edge-sharing NiCl6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the sixth Ni site, Ni(6) is bonded to one Cl(2), one Cl(3), one Cl(4), one Cl(7), and two equivalent Cl(5) atoms to form a mixture of corner and edge-sharing NiCl6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the seventh Ni site, Ni(7) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(5), and two equivalent Cl(4) atoms to form a mixture of corner and edge-sharing NiCl6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. There are seven inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Ni(1), one Ni(3), one Ni(7), and two equivalent Ni(2) atoms to form ClNi5 square pyramids that share  a cornercorner with one Cl(4)Ni6 octahedra,  a cornercorner with one Cl(2)Ni5 square pyramid,  a cornercorner with one Cl(5)Ni5 square pyramid,  a cornercorner with one Cl(7)Ni5 square pyramid, corners with two equivalent Cl(3)Ni5 square pyramids, corners with three equivalent Cl(6)Ni5 square pyramids,  an edgeedge with one Cl(4)Ni6 octahedra,  an edgeedge with one Cl(1)Ni5 square pyramid,  an edgeedge with one Cl(2)Ni5 square pyramid,  an edgeedge with one Cl(3)Ni5 square pyramid, edges with two equivalent Cl(6)Ni5 square pyramids, and edges with two equivalent Cl(7)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the second Cl site, Cl(2) is bonded to one Ni(1), one Ni(3), one Ni(4), one Ni(6), and one Ni(7) atom to form ClNi5 square pyramids that share corners with two equivalent Cl(4)Ni6 octahedra,  a cornercorner with one Cl(1)Ni5 square pyramid,  a cornercorner with one Cl(2)Ni5 square pyramid,  a cornercorner with one Cl(3)Ni5 square pyramid,  a cornercorner with one Cl(5)Ni5 square pyramid,  a cornercorner with one Cl(6)Ni5 square pyramid, corners with two equivalent Cl(7)Ni5 square pyramids, edges with two equivalent Cl(4)Ni6 octahedra,  an edgeedge with one Cl(1)Ni5 square pyramid,  an edgeedge with one Cl(3)Ni5 square pyramid,  an edgeedge with one Cl(6)Ni5 square pyramid,  an edgeedge with one Cl(7)Ni5 square pyramid, and edges with two equivalent Cl(5)Ni5 square pyramids. The corner-sharing octahedral tilt angles range from 1-2°. In the third Cl site, Cl(3) is bonded to one Ni(2), one Ni(3), one Ni(5), one Ni(6), and one Ni(7) atom to form ClNi5 square pyramids that share  a cornercorner with one Cl(2)Ni5 square pyramid,  a cornercorner with one Cl(3)Ni5 square pyramid,  a cornercorner with one Cl(6)Ni5 square pyramid,  a cornercorner with one Cl(7)Ni5 square pyramid, corners with two equivalent Cl(1)Ni5 square pyramids, corners with three equivalent Cl(5)Ni5 square pyramids, edges with three equivalent Cl(4)Ni6 octahedra,  an edgeedge with one Cl(1)Ni5 square pyramid,  an edgeedge with one Cl(2)Ni5 square pyramid,  an edgeedge with one Cl(5)Ni5 square pyramid,  an edgeedge with one Cl(6)Ni5 square pyramid, and  an edgeedge with one Cl(7)Ni5 square pyramid. In the fourth Cl site, Cl(4) is bonded to one Ni(3), one Ni(4), one Ni(5), one Ni(6), and two equivalent Ni(7) atoms to form ClNi6 octahedra that share corners with two equivalent Cl(4)Ni6 octahedra,  a cornercorner with one Cl(1)Ni5 square pyramid,  a cornercorner with one Cl(6)Ni5 square pyramid, corners with two equivalent Cl(2)Ni5 square pyramids,  an edgeedge with one Cl(4)Ni6 octahedra,  an edgeedge with one Cl(1)Ni5 square pyramid,  an edgeedge with one Cl(7)Ni5 square pyramid, edges with two equivalent Cl(2)Ni5 square pyramids, edges with three equivalent Cl(3)Ni5 square pyramids, and edges with four equivalent Cl(5)Ni5 square pyramids. The corner-sharing octahedra are not tilted. In the fifth Cl site, Cl(5) is bonded to one Ni(4), one Ni(5), one Ni(7), and two equivalent Ni(6) atoms to form ClNi5 square pyramids that share  a cornercorner with one Cl(1)Ni5 square pyramid,  a cornercorner with one Cl(2)Ni5 square pyramid, corners with two equivalent Cl(5)Ni5 square pyramids, corners with two equivalent Cl(7)Ni5 square pyramids, corners with three equivalent Cl(3)Ni5 square pyramids, edges with four equivalent Cl(4)Ni6 octahedra,  an edgeedge with one Cl(3)Ni5 square pyramid,  an edgeedge with one Cl(5)Ni5 square pyramid, and edges with two equivalent Cl(2)Ni5 square pyramids. In the sixth Cl site, Cl(6) is bonded to one Ni(3), two equivalent Ni(1), and two equivalent Ni(2) atoms to form ClNi5 square pyramids that share  a cornercorner with one Cl(4)Ni6 octahedra,  a cornercorner with one Cl(2)Ni5 square pyramid,  a cornercorner with one Cl(3)Ni5 square pyramid, corners with three equivalent Cl(1)Ni5 square pyramids, corners with three equivalent Cl(7)Ni5 square pyramids,  an edgeedge with one Cl(2)Ni5 square pyramid,  an edgeedge with one Cl(3)Ni5 square pyramid, edges with two equivalent Cl(1)Ni5 square pyramids, edges with two equivalent Cl(6)Ni5 square pyramids, and edges with two equivalent Cl(7)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the seventh Cl site, Cl(7) is bonded to one Ni(2), one Ni(3), one Ni(6), and two equivalent Ni(1) atoms to form ClNi5 square pyramids that share  a cornercorner with one Cl(1)Ni5 square pyramid,  a cornercorner with one Cl(3)Ni5 square pyramid, corners with two equivalent Cl(2)Ni5 square pyramids, corners with two equivalent Cl(5)Ni5 square pyramids, corners with three equivalent Cl(6)Ni5 square pyramids,  an edgeedge with one Cl(4)Ni6 octahedra,  an edgeedge with one Cl(2)Ni5 square pyramid,  an edgeedge with one Cl(3)Ni5 square pyramid,  an edgeedge with one Cl(7)Ni5 square pyramid, edges with two equivalent Cl(1)Ni5 square pyramids, and edges with two equivalent Cl(6)Ni5 square pyramids.
Ni6Cl7 crystallizes in the triclinic P-1 space group. There are seven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Cl(1), one Cl(2), two equivalent Cl(6), and two equivalent Cl(7) atoms to form a mixture of corner and edge-sharing NiCl6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. The Ni(1)-Cl(1) bond length is 2.43 Å. The Ni(1)-Cl(2) bond length is 2.51 Å. There is one shorter (2.52 Å) and one longer (2.54 Å) Ni(1)-Cl(6) bond length. There is one shorter (2.41 Å) and one longer (2.50 Å) Ni(1)-Cl(7) bond length. In the second Ni site, Ni(2) is bonded to one Cl(3), one Cl(7), two equivalent Cl(1), and two equivalent Cl(6) atoms to form a mixture of corner and edge-sharing NiCl6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. The Ni(2)-Cl(3) bond length is 2.74 Å. The Ni(2)-Cl(7) bond length is 2.38 Å. There is one shorter (2.36 Å) and one longer (2.53 Å) Ni(2)-Cl(1) bond length. There is one shorter (2.43 Å) and one longer (2.44 Å) Ni(2)-Cl(6) bond length. In the third Ni site, Ni(3) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(6), and one Cl(7) atom to form a mixture of corner and edge-sharing NiCl6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. The Ni(3)-Cl(1) bond length is 2.53 Å. The Ni(3)-Cl(2) bond length is 2.48 Å. The Ni(3)-Cl(3) bond length is 2.54 Å. The Ni(3)-Cl(4) bond length is 2.41 Å. The Ni(3)-Cl(6) bond length is 2.36 Å. The Ni(3)-Cl(7) bond length is 2.52 Å. In the fourth Ni site, Ni(4) is bonded to two equivalent Cl(2), two equivalent Cl(4), and two equivalent Cl(5) atoms to form a mixture of corner and edge-sharing NiCl6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. Both Ni(4)-Cl(2) bond lengths are 2.49 Å. Both Ni(4)-Cl(4) bond lengths are 2.45 Å. Both Ni(4)-Cl(5) bond lengths are 2.51 Å. In the fifth Ni site, Ni(5) is bonded to two equivalent Cl(3), two equivalent Cl(4), and two equivalent Cl(5) atoms to form a mixture of corner and edge-sharing NiCl6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. Both Ni(5)-Cl(3) bond lengths are 2.33 Å. Both Ni(5)-Cl(4) bond lengths are 2.53 Å. Both Ni(5)-Cl(5) bond lengths are 2.53 Å. In the sixth Ni site, Ni(6) is bonded to one Cl(2), one Cl(3), one Cl(4), one Cl(7), and two equivalent Cl(5) atoms to form a mixture of corner and edge-sharing NiCl6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. The Ni(6)-Cl(2) bond length is 2.39 Å. The Ni(6)-Cl(3) bond length is 2.42 Å. The Ni(6)-Cl(4) bond length is 2.45 Å. The Ni(6)-Cl(7) bond length is 2.52 Å. There is one shorter (2.44 Å) and one longer (2.49 Å) Ni(6)-Cl(5) bond length. In the seventh Ni site, Ni(7) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(5), and two equivalent Cl(4) atoms to form a mixture of corner and edge-sharing NiCl6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. The Ni(7)-Cl(1) bond length is 2.36 Å. The Ni(7)-Cl(2) bond length is 2.42 Å. The Ni(7)-Cl(3) bond length is 2.41 Å. The Ni(7)-Cl(5) bond length is 2.42 Å. There is one shorter (2.60 Å) and one longer (2.66 Å) Ni(7)-Cl(4) bond length. There are seven inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Ni(1), one Ni(3), one Ni(7), and two equivalent Ni(2) atoms to form ClNi5 square pyramids that share  a cornercorner with one Cl(4)Ni6 octahedra,  a cornercorner with one Cl(2)Ni5 square pyramid,  a cornercorner with one Cl(5)Ni5 square pyramid,  a cornercorner with one Cl(7)Ni5 square pyramid, corners with two equivalent Cl(3)Ni5 square pyramids, corners with three equivalent Cl(6)Ni5 square pyramids,  an edgeedge with one Cl(4)Ni6 octahedra,  an edgeedge with one Cl(1)Ni5 square pyramid,  an edgeedge with one Cl(2)Ni5 square pyramid,  an edgeedge with one Cl(3)Ni5 square pyramid, edges with two equivalent Cl(6)Ni5 square pyramids, and edges with two equivalent Cl(7)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the second Cl site, Cl(2) is bonded to one Ni(1), one Ni(3), one Ni(4), one Ni(6), and one Ni(7) atom to form ClNi5 square pyramids that share corners with two equivalent Cl(4)Ni6 octahedra,  a cornercorner with one Cl(1)Ni5 square pyramid,  a cornercorner with one Cl(2)Ni5 square pyramid,  a cornercorner with one Cl(3)Ni5 square pyramid,  a cornercorner with one Cl(5)Ni5 square pyramid,  a cornercorner with one Cl(6)Ni5 square pyramid, corners with two equivalent Cl(7)Ni5 square pyramids, edges with two equivalent Cl(4)Ni6 octahedra,  an edgeedge with one Cl(1)Ni5 square pyramid,  an edgeedge with one Cl(3)Ni5 square pyramid,  an edgeedge with one Cl(6)Ni5 square pyramid,  an edgeedge with one Cl(7)Ni5 square pyramid, and edges with two equivalent Cl(5)Ni5 square pyramids. The corner-sharing octahedral tilt angles range from 1-2°. In the third Cl site, Cl(3) is bonded to one Ni(2), one Ni(3), one Ni(5), one Ni(6), and one Ni(7) atom to form ClNi5 square pyramids that share  a cornercorner with one Cl(2)Ni5 square pyramid,  a cornercorner with one Cl(3)Ni5 square pyramid,  a cornercorner with one Cl(6)Ni5 square pyramid,  a cornercorner with one Cl(7)Ni5 square pyramid, corners with two equivalent Cl(1)Ni5 square pyramids, corners with three equivalent Cl(5)Ni5 square pyramids, edges with three equivalent Cl(4)Ni6 octahedra,  an edgeedge with one Cl(1)Ni5 square pyramid,  an edgeedge with one Cl(2)Ni5 square pyramid,  an edgeedge with one Cl(5)Ni5 square pyramid,  an edgeedge with one Cl(6)Ni5 square pyramid, and  an edgeedge with one Cl(7)Ni5 square pyramid. In the fourth Cl site, Cl(4) is bonded to one Ni(3), one Ni(4), one Ni(5), one Ni(6), and two equivalent Ni(7) atoms to form ClNi6 octahedra that share corners with two equivalent Cl(4)Ni6 octahedra,  a cornercorner with one Cl(1)Ni5 square pyramid,  a cornercorner with one Cl(6)Ni5 square pyramid, corners with two equivalent Cl(2)Ni5 square pyramids,  an edgeedge with one Cl(4)Ni6 octahedra,  an edgeedge with one Cl(1)Ni5 square pyramid,  an edgeedge with one Cl(7)Ni5 square pyramid, edges with two equivalent Cl(2)Ni5 square pyramids, edges with three equivalent Cl(3)Ni5 square pyramids, and edges with four equivalent Cl(5)Ni5 square pyramids. The corner-sharing octahedra are not tilted. In the fifth Cl site, Cl(5) is bonded to one Ni(4), one Ni(5), one Ni(7), and two equivalent Ni(6) atoms to form ClNi5 square pyramids that share  a cornercorner with one Cl(1)Ni5 square pyramid,  a cornercorner with one Cl(2)Ni5 square pyramid, corners with two equivalent Cl(5)Ni5 square pyramids, corners with two equivalent Cl(7)Ni5 square pyramids, corners with three equivalent Cl(3)Ni5 square pyramids, edges with four equivalent Cl(4)Ni6 octahedra,  an edgeedge with one Cl(3)Ni5 square pyramid,  an edgeedge with one Cl(5)Ni5 square pyramid, and edges with two equivalent Cl(2)Ni5 square pyramids. In the sixth Cl site, Cl(6) is bonded to one Ni(3), two equivalent Ni(1), and two equivalent Ni(2) atoms to form ClNi5 square pyramids that share  a cornercorner with one Cl(4)Ni6 octahedra,  a cornercorner with one Cl(2)Ni5 square pyramid,  a cornercorner with one Cl(3)Ni5 square pyramid, corners with three equivalent Cl(1)Ni5 square pyramids, corners with three equivalent Cl(7)Ni5 square pyramids,  an edgeedge with one Cl(2)Ni5 square pyramid,  an edgeedge with one Cl(3)Ni5 square pyramid, edges with two equivalent Cl(1)Ni5 square pyramids, edges with two equivalent Cl(6)Ni5 square pyramids, and edges with two equivalent Cl(7)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the seventh Cl site, Cl(7) is bonded to one Ni(2), one Ni(3), one Ni(6), and two equivalent Ni(1) atoms to form ClNi5 square pyramids that share  a cornercorner with one Cl(1)Ni5 square pyramid,  a cornercorner with one Cl(3)Ni5 square pyramid, corners with two equivalent Cl(2)Ni5 square pyramids, corners with two equivalent Cl(5)Ni5 square pyramids, corners with three equivalent Cl(6)Ni5 square pyramids,  an edgeedge with one Cl(4)Ni6 octahedra,  an edgeedge with one Cl(2)Ni5 square pyramid,  an edgeedge with one Cl(3)Ni5 square pyramid,  an edgeedge with one Cl(7)Ni5 square pyramid, edges with two equivalent Cl(1)Ni5 square pyramids, and edges with two equivalent Cl(6)Ni5 square pyramids.