MgHf8(N2O)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one N(1), one N(3), one N(4), one N(7), one O(2), and one O(4) atom to form MgN4O2 octahedra that share corners with three equivalent Hf(2)N4O2 octahedra, corners with three equivalent Hf(6)N4O2 octahedra, edges with three equivalent Hf(4)N4O2 octahedra, edges with three equivalent Hf(5)N4O2 octahedra,  a faceface with one Hf(1)N4O2 octahedra, and  a faceface with one Hf(8)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. There are eight inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one N(1), one N(2), one N(4), one N(6), one O(1), and one O(2) atom to form HfN4O2 octahedra that share corners with three equivalent Hf(4)N4O2 octahedra, corners with three equivalent Hf(5)N4O2 octahedra, corners with three equivalent Hf(7)N4O2 octahedra, edges with three equivalent Hf(6)N4O2 octahedra, and  a faceface with one Mg(1)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 35-62°. In the second Hf site, Hf(2) is bonded to one N(3), one N(5), one N(7), one N(8), one O(3), and one O(4) atom to form distorted HfN4O2 octahedra that share corners with three equivalent Mg(1)N4O2 octahedra, corners with three equivalent Hf(4)N4O2 octahedra, corners with three equivalent Hf(7)N4O2 octahedra, edges with three equivalent Hf(8)N4O2 octahedra, and  a faceface with one Hf(5)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 35-59°. In the third Hf site, Hf(3) is bonded in a 6-coordinate geometry to one N(2), one N(5), one N(6), one N(8), one O(1), and one O(3) atom. In the fourth Hf site, Hf(4) is bonded to one N(1), one N(3), one N(4), one N(7), one O(2), and one O(4) atom to form distorted HfN4O2 octahedra that share corners with three equivalent Hf(1)N4O2 octahedra, corners with three equivalent Hf(2)N4O2 octahedra, corners with three equivalent Hf(8)N4O2 octahedra, edges with three equivalent Mg(1)N4O2 octahedra, edges with three equivalent Hf(5)N4O2 octahedra, and  a faceface with one Hf(6)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 35-64°. In the fifth Hf site, Hf(5) is bonded to one N(1), one N(3), one N(4), one N(7), one O(2), and one O(4) atom to form distorted HfN4O2 octahedra that share corners with three equivalent Hf(1)N4O2 octahedra, corners with three equivalent Hf(6)N4O2 octahedra, corners with three equivalent Hf(8)N4O2 octahedra, edges with three equivalent Mg(1)N4O2 octahedra, edges with three equivalent Hf(4)N4O2 octahedra, and  a faceface with one Hf(2)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 37-62°. In the sixth Hf site, Hf(6) is bonded to one N(1), one N(2), one N(4), one N(6), one O(1), and one O(2) atom to form distorted HfN4O2 octahedra that share corners with three equivalent Mg(1)N4O2 octahedra, corners with three equivalent Hf(5)N4O2 octahedra, corners with three equivalent Hf(7)N4O2 octahedra, edges with three equivalent Hf(1)N4O2 octahedra, and  a faceface with one Hf(4)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 37-63°. In the seventh Hf site, Hf(7) is bonded to one N(2), one N(5), one N(6), one N(8), one O(1), and one O(3) atom to form a mixture of distorted corner and face-sharing HfN4O2 octahedra. The corner-sharing octahedral tilt angles range from 41-63°. In the eighth Hf site, Hf(8) is bonded to one N(3), one N(5), one N(7), one N(8), one O(3), and one O(4) atom to form HfN4O2 octahedra that share corners with three equivalent Hf(4)N4O2 octahedra, corners with three equivalent Hf(5)N4O2 octahedra, edges with three equivalent Hf(2)N4O2 octahedra,  a faceface with one Mg(1)N4O2 octahedra, and  a faceface with one Hf(7)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 37-64°. There are eight inequivalent N sites. In the first N site, N(1) is bonded to one Mg(1), one Hf(1), one Hf(4), one Hf(5), and one Hf(6) atom to form distorted NHf4Mg trigonal bipyramids that share  a cornercorner with one N(3)Hf4Mg trigonal bipyramid,  a cornercorner with one N(4)Hf4Mg trigonal bipyramid,  a cornercorner with one N(7)Hf4Mg trigonal bipyramid,  a cornercorner with one O(2)Hf4Mg trigonal bipyramid, corners with two equivalent N(6)Hf4 trigonal pyramids,  an edgeedge with one N(3)Hf4Mg trigonal bipyramid,  an edgeedge with one N(7)Hf4Mg trigonal bipyramid, edges with two equivalent N(4)Hf4Mg trigonal bipyramids, and edges with two equivalent O(2)Hf4Mg trigonal bipyramids. In the second N site, N(2) is bonded in a rectangular see-saw-like geometry to one Hf(1), one Hf(3), one Hf(6), and one Hf(7) atom. In the third N site, N(3) is bonded to one Mg(1), one Hf(2), one Hf(4), one Hf(5), and one Hf(8) atom to form distorted NHf4Mg trigonal bipyramids that share  a cornercorner with one N(1)Hf4Mg trigonal bipyramid,  a cornercorner with one N(4)Hf4Mg trigonal bipyramid,  a cornercorner with one N(7)Hf4Mg trigonal bipyramid,  a cornercorner with one O(2)Hf4Mg trigonal bipyramid, corners with two equivalent O(3)Hf4 trigonal pyramids,  an edgeedge with one N(1)Hf4Mg trigonal bipyramid,  an edgeedge with one N(4)Hf4Mg trigonal bipyramid,  an edgeedge with one O(2)Hf4Mg trigonal bipyramid, edges with two equivalent N(7)Hf4Mg trigonal bipyramids, and  an edgeedge with one N(8)Hf4 trigonal pyramid. In the fourth N site, N(4) is bonded to one Mg(1), one Hf(1), one Hf(4), one Hf(5), and one Hf(6) atom to form NHf4Mg trigonal bipyramids that share  a cornercorner with one N(1)Hf4Mg trigonal bipyramid,  a cornercorner with one N(3)Hf4Mg trigonal bipyramid,  a cornercorner with one N(7)Hf4Mg trigonal bipyramid,  a cornercorner with one O(2)Hf4Mg trigonal bipyramid, corners with two equivalent N(6)Hf4 trigonal pyramids,  an edgeedge with one N(3)Hf4Mg trigonal bipyramid,  an edgeedge with one N(7)Hf4Mg trigonal bipyramid, edges with two equivalent N(1)Hf4Mg trigonal bipyramids, and edges with two equivalent O(2)Hf4Mg trigonal bipyramids. In the fifth N site, N(5) is bonded in a distorted see-saw-like geometry to one Hf(2), one Hf(3), one Hf(7), and one Hf(8) atom. In the sixth N site, N(6) is bonded to one Hf(1), one Hf(3), one Hf(6), and one Hf(7) atom to form distorted NHf4 trigonal pyramids that share corners with two equivalent N(1)Hf4Mg trigonal bipyramids, corners with two equivalent N(4)Hf4Mg trigonal bipyramids, corners with two equivalent N(8)Hf4 trigonal pyramids,  an edgeedge with one O(2)Hf4Mg trigonal bipyramid, and  an edgeedge with one O(3)Hf4 trigonal pyramid. In the seventh N site, N(7) is bonded to one Mg(1), one Hf(2), one Hf(4), one Hf(5), and one Hf(8) atom to form distorted NHf4Mg trigonal bipyramids that share  a cornercorner with one N(1)Hf4Mg trigonal bipyramid,  a cornercorner with one N(3)Hf4Mg trigonal bipyramid,  a cornercorner with one N(4)Hf4Mg trigonal bipyramid,  a cornercorner with one O(2)Hf4Mg trigonal bipyramid, corners with two equivalent N(8)Hf4 trigonal pyramids,  an edgeedge with one N(1)Hf4Mg trigonal bipyramid,  an edgeedge with one N(4)Hf4Mg trigonal bipyramid,  an edgeedge with one O(2)Hf4Mg trigonal bipyramid, edges with two equivalent N(3)Hf4Mg trigonal bipyramids, and  an edgeedge with one O(3)Hf4 trigonal pyramid. In the eighth N site, N(8) is bonded to one Hf(2), one Hf(3), one Hf(7), and one Hf(8) atom to form distorted NHf4 trigonal pyramids that share corners with two equivalent N(7)Hf4Mg trigonal bipyramids, corners with two equivalent N(6)Hf4 trigonal pyramids, corners with two equivalent O(3)Hf4 trigonal pyramids,  an edgeedge with one N(3)Hf4Mg trigonal bipyramid, and  an edgeedge with one O(3)Hf4 trigonal pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(3), one Hf(6), and one Hf(7) atom. In the second O site, O(2) is bonded to one Mg(1), one Hf(1), one Hf(4), one Hf(5), and one Hf(6) atom to form distorted OHf4Mg trigonal bipyramids that share  a cornercorner with one N(1)Hf4Mg trigonal bipyramid,  a cornercorner with one N(3)Hf4Mg trigonal bipyramid,  a cornercorner with one N(4)Hf4Mg trigonal bipyramid,  a cornercorner with one N(7)Hf4Mg trigonal bipyramid,  an edgeedge with one N(3)Hf4Mg trigonal bipyramid,  an edgeedge with one N(7)Hf4Mg trigonal bipyramid, edges with two equivalent N(1)Hf4Mg trigonal bipyramids, edges with two equivalent N(4)Hf4Mg trigonal bipyramids, and  an edgeedge with one N(6)Hf4 trigonal pyramid. In the third O site, O(3) is bonded to one Hf(2), one Hf(3), one Hf(7), and one Hf(8) atom to form distorted OHf4 trigonal pyramids that share corners with two equivalent N(3)Hf4Mg trigonal bipyramids, corners with two equivalent N(8)Hf4 trigonal pyramids,  an edgeedge with one N(7)Hf4Mg trigonal bipyramid,  an edgeedge with one N(6)Hf4 trigonal pyramid, and  an edgeedge with one N(8)Hf4 trigonal pyramid. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Hf(2), one Hf(4), one Hf(5), and one Hf(8) atom.
MgHf8(N2O)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one N(1), one N(3), one N(4), one N(7), one O(2), and one O(4) atom to form MgN4O2 octahedra that share corners with three equivalent Hf(2)N4O2 octahedra, corners with three equivalent Hf(6)N4O2 octahedra, edges with three equivalent Hf(4)N4O2 octahedra, edges with three equivalent Hf(5)N4O2 octahedra,  a faceface with one Hf(1)N4O2 octahedra, and  a faceface with one Hf(8)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. The Mg(1)-N(1) bond length is 2.17 Å. The Mg(1)-N(3) bond length is 2.18 Å. The Mg(1)-N(4) bond length is 2.21 Å. The Mg(1)-N(7) bond length is 2.19 Å. The Mg(1)-O(2) bond length is 2.14 Å. The Mg(1)-O(4) bond length is 2.13 Å. There are eight inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one N(1), one N(2), one N(4), one N(6), one O(1), and one O(2) atom to form HfN4O2 octahedra that share corners with three equivalent Hf(4)N4O2 octahedra, corners with three equivalent Hf(5)N4O2 octahedra, corners with three equivalent Hf(7)N4O2 octahedra, edges with three equivalent Hf(6)N4O2 octahedra, and  a faceface with one Mg(1)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 35-62°. The Hf(1)-N(1) bond length is 2.33 Å. The Hf(1)-N(2) bond length is 2.16 Å. The Hf(1)-N(4) bond length is 2.26 Å. The Hf(1)-N(6) bond length is 2.09 Å. The Hf(1)-O(1) bond length is 2.07 Å. The Hf(1)-O(2) bond length is 2.27 Å. In the second Hf site, Hf(2) is bonded to one N(3), one N(5), one N(7), one N(8), one O(3), and one O(4) atom to form distorted HfN4O2 octahedra that share corners with three equivalent Mg(1)N4O2 octahedra, corners with three equivalent Hf(4)N4O2 octahedra, corners with three equivalent Hf(7)N4O2 octahedra, edges with three equivalent Hf(8)N4O2 octahedra, and  a faceface with one Hf(5)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 35-59°. The Hf(2)-N(3) bond length is 2.19 Å. The Hf(2)-N(5) bond length is 2.14 Å. The Hf(2)-N(7) bond length is 2.26 Å. The Hf(2)-N(8) bond length is 2.05 Å. The Hf(2)-O(3) bond length is 2.22 Å. The Hf(2)-O(4) bond length is 2.68 Å. In the third Hf site, Hf(3) is bonded in a 6-coordinate geometry to one N(2), one N(5), one N(6), one N(8), one O(1), and one O(3) atom. The Hf(3)-N(2) bond length is 2.24 Å. The Hf(3)-N(5) bond length is 2.04 Å. The Hf(3)-N(6) bond length is 2.30 Å. The Hf(3)-N(8) bond length is 2.12 Å. The Hf(3)-O(1) bond length is 2.64 Å. The Hf(3)-O(3) bond length is 2.16 Å. In the fourth Hf site, Hf(4) is bonded to one N(1), one N(3), one N(4), one N(7), one O(2), and one O(4) atom to form distorted HfN4O2 octahedra that share corners with three equivalent Hf(1)N4O2 octahedra, corners with three equivalent Hf(2)N4O2 octahedra, corners with three equivalent Hf(8)N4O2 octahedra, edges with three equivalent Mg(1)N4O2 octahedra, edges with three equivalent Hf(5)N4O2 octahedra, and  a faceface with one Hf(6)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 35-64°. The Hf(4)-N(1) bond length is 2.37 Å. The Hf(4)-N(3) bond length is 2.07 Å. The Hf(4)-N(4) bond length is 2.22 Å. The Hf(4)-N(7) bond length is 2.15 Å. The Hf(4)-O(2) bond length is 2.45 Å. The Hf(4)-O(4) bond length is 2.17 Å. In the fifth Hf site, Hf(5) is bonded to one N(1), one N(3), one N(4), one N(7), one O(2), and one O(4) atom to form distorted HfN4O2 octahedra that share corners with three equivalent Hf(1)N4O2 octahedra, corners with three equivalent Hf(6)N4O2 octahedra, corners with three equivalent Hf(8)N4O2 octahedra, edges with three equivalent Mg(1)N4O2 octahedra, edges with three equivalent Hf(4)N4O2 octahedra, and  a faceface with one Hf(2)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 37-62°. The Hf(5)-N(1) bond length is 2.10 Å. The Hf(5)-N(3) bond length is 2.44 Å. The Hf(5)-N(4) bond length is 2.15 Å. The Hf(5)-N(7) bond length is 2.29 Å. The Hf(5)-O(2) bond length is 2.12 Å. The Hf(5)-O(4) bond length is 2.29 Å. In the sixth Hf site, Hf(6) is bonded to one N(1), one N(2), one N(4), one N(6), one O(1), and one O(2) atom to form distorted HfN4O2 octahedra that share corners with three equivalent Mg(1)N4O2 octahedra, corners with three equivalent Hf(5)N4O2 octahedra, corners with three equivalent Hf(7)N4O2 octahedra, edges with three equivalent Hf(1)N4O2 octahedra, and  a faceface with one Hf(4)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 37-63°. The Hf(6)-N(1) bond length is 2.19 Å. The Hf(6)-N(2) bond length is 2.06 Å. The Hf(6)-N(4) bond length is 2.33 Å. The Hf(6)-N(6) bond length is 2.14 Å. The Hf(6)-O(1) bond length is 2.19 Å. The Hf(6)-O(2) bond length is 2.50 Å. In the seventh Hf site, Hf(7) is bonded to one N(2), one N(5), one N(6), one N(8), one O(1), and one O(3) atom to form a mixture of distorted corner and face-sharing HfN4O2 octahedra. The corner-sharing octahedral tilt angles range from 41-63°. The Hf(7)-N(2) bond length is 2.15 Å. The Hf(7)-N(5) bond length is 2.30 Å. The Hf(7)-N(6) bond length is 2.10 Å. The Hf(7)-N(8) bond length is 2.37 Å. The Hf(7)-O(1) bond length is 2.07 Å. The Hf(7)-O(3) bond length is 2.35 Å. In the eighth Hf site, Hf(8) is bonded to one N(3), one N(5), one N(7), one N(8), one O(3), and one O(4) atom to form HfN4O2 octahedra that share corners with three equivalent Hf(4)N4O2 octahedra, corners with three equivalent Hf(5)N4O2 octahedra, edges with three equivalent Hf(2)N4O2 octahedra,  a faceface with one Mg(1)N4O2 octahedra, and  a faceface with one Hf(7)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 37-64°. The Hf(8)-N(3) bond length is 2.36 Å. The Hf(8)-N(5) bond length is 2.08 Å. The Hf(8)-N(7) bond length is 2.24 Å. The Hf(8)-N(8) bond length is 2.13 Å. The Hf(8)-O(3) bond length is 2.12 Å. The Hf(8)-O(4) bond length is 2.25 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded to one Mg(1), one Hf(1), one Hf(4), one Hf(5), and one Hf(6) atom to form distorted NHf4Mg trigonal bipyramids that share  a cornercorner with one N(3)Hf4Mg trigonal bipyramid,  a cornercorner with one N(4)Hf4Mg trigonal bipyramid,  a cornercorner with one N(7)Hf4Mg trigonal bipyramid,  a cornercorner with one O(2)Hf4Mg trigonal bipyramid, corners with two equivalent N(6)Hf4 trigonal pyramids,  an edgeedge with one N(3)Hf4Mg trigonal bipyramid,  an edgeedge with one N(7)Hf4Mg trigonal bipyramid, edges with two equivalent N(4)Hf4Mg trigonal bipyramids, and edges with two equivalent O(2)Hf4Mg trigonal bipyramids. In the second N site, N(2) is bonded in a rectangular see-saw-like geometry to one Hf(1), one Hf(3), one Hf(6), and one Hf(7) atom. In the third N site, N(3) is bonded to one Mg(1), one Hf(2), one Hf(4), one Hf(5), and one Hf(8) atom to form distorted NHf4Mg trigonal bipyramids that share  a cornercorner with one N(1)Hf4Mg trigonal bipyramid,  a cornercorner with one N(4)Hf4Mg trigonal bipyramid,  a cornercorner with one N(7)Hf4Mg trigonal bipyramid,  a cornercorner with one O(2)Hf4Mg trigonal bipyramid, corners with two equivalent O(3)Hf4 trigonal pyramids,  an edgeedge with one N(1)Hf4Mg trigonal bipyramid,  an edgeedge with one N(4)Hf4Mg trigonal bipyramid,  an edgeedge with one O(2)Hf4Mg trigonal bipyramid, edges with two equivalent N(7)Hf4Mg trigonal bipyramids, and  an edgeedge with one N(8)Hf4 trigonal pyramid. In the fourth N site, N(4) is bonded to one Mg(1), one Hf(1), one Hf(4), one Hf(5), and one Hf(6) atom to form NHf4Mg trigonal bipyramids that share  a cornercorner with one N(1)Hf4Mg trigonal bipyramid,  a cornercorner with one N(3)Hf4Mg trigonal bipyramid,  a cornercorner with one N(7)Hf4Mg trigonal bipyramid,  a cornercorner with one O(2)Hf4Mg trigonal bipyramid, corners with two equivalent N(6)Hf4 trigonal pyramids,  an edgeedge with one N(3)Hf4Mg trigonal bipyramid,  an edgeedge with one N(7)Hf4Mg trigonal bipyramid, edges with two equivalent N(1)Hf4Mg trigonal bipyramids, and edges with two equivalent O(2)Hf4Mg trigonal bipyramids. In the fifth N site, N(5) is bonded in a distorted see-saw-like geometry to one Hf(2), one Hf(3), one Hf(7), and one Hf(8) atom. In the sixth N site, N(6) is bonded to one Hf(1), one Hf(3), one Hf(6), and one Hf(7) atom to form distorted NHf4 trigonal pyramids that share corners with two equivalent N(1)Hf4Mg trigonal bipyramids, corners with two equivalent N(4)Hf4Mg trigonal bipyramids, corners with two equivalent N(8)Hf4 trigonal pyramids,  an edgeedge with one O(2)Hf4Mg trigonal bipyramid, and  an edgeedge with one O(3)Hf4 trigonal pyramid. In the seventh N site, N(7) is bonded to one Mg(1), one Hf(2), one Hf(4), one Hf(5), and one Hf(8) atom to form distorted NHf4Mg trigonal bipyramids that share  a cornercorner with one N(1)Hf4Mg trigonal bipyramid,  a cornercorner with one N(3)Hf4Mg trigonal bipyramid,  a cornercorner with one N(4)Hf4Mg trigonal bipyramid,  a cornercorner with one O(2)Hf4Mg trigonal bipyramid, corners with two equivalent N(8)Hf4 trigonal pyramids,  an edgeedge with one N(1)Hf4Mg trigonal bipyramid,  an edgeedge with one N(4)Hf4Mg trigonal bipyramid,  an edgeedge with one O(2)Hf4Mg trigonal bipyramid, edges with two equivalent N(3)Hf4Mg trigonal bipyramids, and  an edgeedge with one O(3)Hf4 trigonal pyramid. In the eighth N site, N(8) is bonded to one Hf(2), one Hf(3), one Hf(7), and one Hf(8) atom to form distorted NHf4 trigonal pyramids that share corners with two equivalent N(7)Hf4Mg trigonal bipyramids, corners with two equivalent N(6)Hf4 trigonal pyramids, corners with two equivalent O(3)Hf4 trigonal pyramids,  an edgeedge with one N(3)Hf4Mg trigonal bipyramid, and  an edgeedge with one O(3)Hf4 trigonal pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(3), one Hf(6), and one Hf(7) atom. In the second O site, O(2) is bonded to one Mg(1), one Hf(1), one Hf(4), one Hf(5), and one Hf(6) atom to form distorted OHf4Mg trigonal bipyramids that share  a cornercorner with one N(1)Hf4Mg trigonal bipyramid,  a cornercorner with one N(3)Hf4Mg trigonal bipyramid,  a cornercorner with one N(4)Hf4Mg trigonal bipyramid,  a cornercorner with one N(7)Hf4Mg trigonal bipyramid,  an edgeedge with one N(3)Hf4Mg trigonal bipyramid,  an edgeedge with one N(7)Hf4Mg trigonal bipyramid, edges with two equivalent N(1)Hf4Mg trigonal bipyramids, edges with two equivalent N(4)Hf4Mg trigonal bipyramids, and  an edgeedge with one N(6)Hf4 trigonal pyramid. In the third O site, O(3) is bonded to one Hf(2), one Hf(3), one Hf(7), and one Hf(8) atom to form distorted OHf4 trigonal pyramids that share corners with two equivalent N(3)Hf4Mg trigonal bipyramids, corners with two equivalent N(8)Hf4 trigonal pyramids,  an edgeedge with one N(7)Hf4Mg trigonal bipyramid,  an edgeedge with one N(6)Hf4 trigonal pyramid, and  an edgeedge with one N(8)Hf4 trigonal pyramid. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Hf(2), one Hf(4), one Hf(5), and one Hf(8) atom.