The material structure described by MgHf8(N2O)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one N(3), one N(5), one N(7), and one O(4) atom to form distorted MgN3O tetrahedra that share  a cornercorner with one Hf(3)N4O2 octahedra, corners with two equivalent Hf(8)N4O2 pentagonal pyramids, corners with three equivalent Hf(4)N4O2 pentagonal pyramids, corners with three equivalent Hf(2)N4O trigonal bipyramids, and  an edgeedge with one Hf(8)N4O2 pentagonal pyramid. The corner-sharing octahedral tilt angles are 82°. 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 a mixture of distorted corner, edge, and face-sharing HfN4O2 octahedra. In the second Hf site, Hf(2) is bonded to one N(3), one N(5), one N(7), one N(8), and one O(3) atom to form distorted HfN4O trigonal bipyramids that share corners with three equivalent Hf(3)N4O2 octahedra,  a cornercorner with one Hf(8)N4O2 pentagonal pyramid, corners with three equivalent Mg(1)N3O tetrahedra,  an edgeedge with one Hf(4)N4O2 pentagonal pyramid, and edges with two equivalent Hf(8)N4O2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 60-69°. In the third Hf site, Hf(3) 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 distorted HfN4O2 octahedra that share corners with three equivalent Hf(6)N4O2 octahedra, corners with three equivalent Hf(8)N4O2 pentagonal pyramids,  a cornercorner with one Mg(1)N3O tetrahedra, corners with three equivalent Hf(2)N4O trigonal bipyramids, and  a faceface with one Hf(1)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. 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 pentagonal pyramids that share corners with three equivalent Hf(1)N4O2 octahedra, corners with three equivalent Hf(8)N4O2 pentagonal pyramids, corners with three equivalent Mg(1)N3O tetrahedra,  an edgeedge with one Hf(2)N4O trigonal bipyramid, and  a faceface with one Hf(6)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the fifth Hf site, Hf(5) is bonded in a 5-coordinate geometry to one N(1), one N(4), one N(7), one O(2), and one O(4) atom. 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 a mixture of distorted corner, edge, and face-sharing HfN4O2 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. In the seventh Hf site, Hf(7) is bonded in a 5-coordinate geometry to one N(2), one N(6), one N(8), one O(1), and one O(3) atom. 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 distorted HfN4O2 pentagonal pyramids that share corners with three equivalent Hf(3)N4O2 octahedra, corners with three equivalent Hf(4)N4O2 pentagonal pyramids, corners with two equivalent Mg(1)N3O tetrahedra,  a cornercorner with one Hf(2)N4O trigonal bipyramid,  an edgeedge with one Mg(1)N3O tetrahedra, and edges with two equivalent Hf(2)N4O trigonal bipyramids. The corner-sharing octahedral tilt angles range from 36-61°. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a distorted see-saw-like geometry to one Hf(1), one Hf(4), one Hf(5), and one Hf(6) atom. In the second N site, N(2) 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(4)Hf4 trigonal pyramids, corners with two equivalent N(6)Hf4 trigonal pyramids, corners with two equivalent O(1)Hf4 trigonal pyramids, corners with two equivalent O(2)Hf4 trigonal pyramids,  an edgeedge with one N(6)Hf4 trigonal pyramid, and  an edgeedge with one O(1)Hf4 trigonal pyramid. In the third N site, N(3) is bonded to one Mg(1), one Hf(2), one Hf(4), and one Hf(8) atom to form distorted NHf3Mg trigonal pyramids that share corners with two equivalent N(7)Hf4Mg trigonal bipyramids,  a cornercorner with one N(4)Hf4 trigonal pyramid,  a cornercorner with one O(2)Hf4 trigonal pyramid, and  an edgeedge with one N(7)Hf4Mg trigonal bipyramid. In the fourth N site, N(4) is bonded to one Hf(1), one Hf(4), one Hf(5), and one Hf(6) atom to form distorted NHf4 trigonal pyramids that share corners with two equivalent N(7)Hf4Mg trigonal bipyramids,  a cornercorner with one N(3)Hf3Mg trigonal pyramid, corners with two equivalent N(2)Hf4 trigonal pyramids, corners with two equivalent N(6)Hf4 trigonal pyramids, corners with two equivalent O(2)Hf4 trigonal pyramids,  an edgeedge with one O(1)Hf4 trigonal pyramid, and  an edgeedge with one O(2)Hf4 trigonal pyramid. In the fifth N site, N(5) is bonded in a 4-coordinate geometry to one Mg(1), one Hf(2), one Hf(3), 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(2)Hf4 trigonal pyramids, corners with two equivalent N(4)Hf4 trigonal pyramids, corners with two equivalent O(1)Hf4 trigonal pyramids,  an edgeedge with one N(2)Hf4 trigonal pyramid,  an edgeedge with one O(1)Hf4 trigonal pyramid, and  an edgeedge with one O(2)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 NHf4Mg trigonal bipyramids that share corners with two equivalent N(3)Hf3Mg trigonal pyramids, corners with two equivalent N(4)Hf4 trigonal pyramids, corners with two equivalent O(2)Hf4 trigonal pyramids, and  an edgeedge with one N(3)Hf3Mg trigonal pyramid. In the eighth N site, N(8) is bonded in a see-saw-like geometry to one Hf(2), one Hf(3), one Hf(7), and one Hf(8) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Hf(1), one Hf(3), one Hf(6), and one Hf(7) atom to form distorted OHf4 trigonal pyramids that share corners with two equivalent N(2)Hf4 trigonal pyramids, corners with two equivalent N(6)Hf4 trigonal pyramids, corners with two equivalent O(2)Hf4 trigonal pyramids,  an edgeedge with one N(2)Hf4 trigonal pyramid,  an edgeedge with one N(4)Hf4 trigonal pyramid, and  an edgeedge with one N(6)Hf4 trigonal pyramid. In the second O site, O(2) is bonded to one Hf(1), one Hf(4), one Hf(5), and one Hf(6) atom to form distorted OHf4 trigonal pyramids that share corners with two equivalent N(7)Hf4Mg trigonal bipyramids,  a cornercorner with one N(3)Hf3Mg trigonal pyramid, corners with two equivalent N(2)Hf4 trigonal pyramids, corners with two equivalent N(4)Hf4 trigonal pyramids, corners with two equivalent O(1)Hf4 trigonal pyramids,  an edgeedge with one N(4)Hf4 trigonal pyramid, and  an edgeedge with one N(6)Hf4 trigonal pyramid. In the third O site, O(3) 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 fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one Hf(4), one Hf(5), and one Hf(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf8Mg(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.504
_cell_length_b   5.440
_cell_length_c   11.558
_cell_angle_alpha   78.567
_cell_angle_beta   64.460
_cell_angle_gamma   59.327
_symmetry_Int_Tables_number   1
_cell_volume   268.444
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Hf  Hf0  1  0.052  0.437  0.280  1.0
  Hf  Hf1  1  0.160  0.075  0.802  1.0
  Hf  Hf2  1  0.354  0.426  0.979  1.0
  Hf  Hf3  1  0.536  0.056  0.507  1.0
  Hf  Hf4  1  0.252  0.767  0.452  1.0
  Hf  Hf5  1  0.759  0.118  0.218  1.0
  Hf  Hf6  1  0.627  0.763  0.050  1.0
  Hf  Hf7  1  0.941  0.713  0.746  1.0
  Mg  Mg8  1  0.692  0.418  0.657  1.0
  N  N9  1  0.356  0.100  0.360  1.0
  N  N10  1  0.501  0.431  0.121  1.0
  N  N11  1  0.360  0.328  0.664  1.0
  N  N12  1  0.653  0.389  0.377  1.0
  N  N13  1  0.496  0.690  0.840  1.0
  N  N14  1  0.902  0.727  0.130  1.0
  N  N15  1  0.165  0.959  0.630  1.0
  N  N16  1  0.739  0.036  0.893  1.0
  O  O17  1  0.194  0.124  0.130  1.0
  O  O18  1  0.985  0.801  0.349  1.0
  O  O19  1  0.028  0.439  0.913  1.0
  O  O20  1  0.854  0.713  0.583  1.0
[/CIF]
.
The material structure described by MgHf8(N2O)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one N(3), one N(5), one N(7), and one O(4) atom to form distorted MgN3O tetrahedra that share  a cornercorner with one Hf(3)N4O2 octahedra, corners with two equivalent Hf(8)N4O2 pentagonal pyramids, corners with three equivalent Hf(4)N4O2 pentagonal pyramids, corners with three equivalent Hf(2)N4O trigonal bipyramids, and  an edgeedge with one Hf(8)N4O2 pentagonal pyramid. The corner-sharing octahedral tilt angles are 82°. 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 a mixture of distorted corner, edge, and face-sharing HfN4O2 octahedra. In the second Hf site, Hf(2) is bonded to one N(3), one N(5), one N(7), one N(8), and one O(3) atom to form distorted HfN4O trigonal bipyramids that share corners with three equivalent Hf(3)N4O2 octahedra,  a cornercorner with one Hf(8)N4O2 pentagonal pyramid, corners with three equivalent Mg(1)N3O tetrahedra,  an edgeedge with one Hf(4)N4O2 pentagonal pyramid, and edges with two equivalent Hf(8)N4O2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 60-69°. In the third Hf site, Hf(3) 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 distorted HfN4O2 octahedra that share corners with three equivalent Hf(6)N4O2 octahedra, corners with three equivalent Hf(8)N4O2 pentagonal pyramids,  a cornercorner with one Mg(1)N3O tetrahedra, corners with three equivalent Hf(2)N4O trigonal bipyramids, and  a faceface with one Hf(1)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. 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 pentagonal pyramids that share corners with three equivalent Hf(1)N4O2 octahedra, corners with three equivalent Hf(8)N4O2 pentagonal pyramids, corners with three equivalent Mg(1)N3O tetrahedra,  an edgeedge with one Hf(2)N4O trigonal bipyramid, and  a faceface with one Hf(6)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the fifth Hf site, Hf(5) is bonded in a 5-coordinate geometry to one N(1), one N(4), one N(7), one O(2), and one O(4) atom. 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 a mixture of distorted corner, edge, and face-sharing HfN4O2 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. In the seventh Hf site, Hf(7) is bonded in a 5-coordinate geometry to one N(2), one N(6), one N(8), one O(1), and one O(3) atom. 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 distorted HfN4O2 pentagonal pyramids that share corners with three equivalent Hf(3)N4O2 octahedra, corners with three equivalent Hf(4)N4O2 pentagonal pyramids, corners with two equivalent Mg(1)N3O tetrahedra,  a cornercorner with one Hf(2)N4O trigonal bipyramid,  an edgeedge with one Mg(1)N3O tetrahedra, and edges with two equivalent Hf(2)N4O trigonal bipyramids. The corner-sharing octahedral tilt angles range from 36-61°. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a distorted see-saw-like geometry to one Hf(1), one Hf(4), one Hf(5), and one Hf(6) atom. In the second N site, N(2) 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(4)Hf4 trigonal pyramids, corners with two equivalent N(6)Hf4 trigonal pyramids, corners with two equivalent O(1)Hf4 trigonal pyramids, corners with two equivalent O(2)Hf4 trigonal pyramids,  an edgeedge with one N(6)Hf4 trigonal pyramid, and  an edgeedge with one O(1)Hf4 trigonal pyramid. In the third N site, N(3) is bonded to one Mg(1), one Hf(2), one Hf(4), and one Hf(8) atom to form distorted NHf3Mg trigonal pyramids that share corners with two equivalent N(7)Hf4Mg trigonal bipyramids,  a cornercorner with one N(4)Hf4 trigonal pyramid,  a cornercorner with one O(2)Hf4 trigonal pyramid, and  an edgeedge with one N(7)Hf4Mg trigonal bipyramid. In the fourth N site, N(4) is bonded to one Hf(1), one Hf(4), one Hf(5), and one Hf(6) atom to form distorted NHf4 trigonal pyramids that share corners with two equivalent N(7)Hf4Mg trigonal bipyramids,  a cornercorner with one N(3)Hf3Mg trigonal pyramid, corners with two equivalent N(2)Hf4 trigonal pyramids, corners with two equivalent N(6)Hf4 trigonal pyramids, corners with two equivalent O(2)Hf4 trigonal pyramids,  an edgeedge with one O(1)Hf4 trigonal pyramid, and  an edgeedge with one O(2)Hf4 trigonal pyramid. In the fifth N site, N(5) is bonded in a 4-coordinate geometry to one Mg(1), one Hf(2), one Hf(3), 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(2)Hf4 trigonal pyramids, corners with two equivalent N(4)Hf4 trigonal pyramids, corners with two equivalent O(1)Hf4 trigonal pyramids,  an edgeedge with one N(2)Hf4 trigonal pyramid,  an edgeedge with one O(1)Hf4 trigonal pyramid, and  an edgeedge with one O(2)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 NHf4Mg trigonal bipyramids that share corners with two equivalent N(3)Hf3Mg trigonal pyramids, corners with two equivalent N(4)Hf4 trigonal pyramids, corners with two equivalent O(2)Hf4 trigonal pyramids, and  an edgeedge with one N(3)Hf3Mg trigonal pyramid. In the eighth N site, N(8) is bonded in a see-saw-like geometry to one Hf(2), one Hf(3), one Hf(7), and one Hf(8) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Hf(1), one Hf(3), one Hf(6), and one Hf(7) atom to form distorted OHf4 trigonal pyramids that share corners with two equivalent N(2)Hf4 trigonal pyramids, corners with two equivalent N(6)Hf4 trigonal pyramids, corners with two equivalent O(2)Hf4 trigonal pyramids,  an edgeedge with one N(2)Hf4 trigonal pyramid,  an edgeedge with one N(4)Hf4 trigonal pyramid, and  an edgeedge with one N(6)Hf4 trigonal pyramid. In the second O site, O(2) is bonded to one Hf(1), one Hf(4), one Hf(5), and one Hf(6) atom to form distorted OHf4 trigonal pyramids that share corners with two equivalent N(7)Hf4Mg trigonal bipyramids,  a cornercorner with one N(3)Hf3Mg trigonal pyramid, corners with two equivalent N(2)Hf4 trigonal pyramids, corners with two equivalent N(4)Hf4 trigonal pyramids, corners with two equivalent O(1)Hf4 trigonal pyramids,  an edgeedge with one N(4)Hf4 trigonal pyramid, and  an edgeedge with one N(6)Hf4 trigonal pyramid. In the third O site, O(3) 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 fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one Hf(4), one Hf(5), and one Hf(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf8Mg(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.504
_cell_length_b   5.440
_cell_length_c   11.558
_cell_angle_alpha   78.567
_cell_angle_beta   64.460
_cell_angle_gamma   59.327
_symmetry_Int_Tables_number   1
_cell_volume   268.444
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Hf  Hf0  1  0.052  0.437  0.280  1.0
  Hf  Hf1  1  0.160  0.075  0.802  1.0
  Hf  Hf2  1  0.354  0.426  0.979  1.0
  Hf  Hf3  1  0.536  0.056  0.507  1.0
  Hf  Hf4  1  0.252  0.767  0.452  1.0
  Hf  Hf5  1  0.759  0.118  0.218  1.0
  Hf  Hf6  1  0.627  0.763  0.050  1.0
  Hf  Hf7  1  0.941  0.713  0.746  1.0
  Mg  Mg8  1  0.692  0.418  0.657  1.0
  N  N9  1  0.356  0.100  0.360  1.0
  N  N10  1  0.501  0.431  0.121  1.0
  N  N11  1  0.360  0.328  0.664  1.0
  N  N12  1  0.653  0.389  0.377  1.0
  N  N13  1  0.496  0.690  0.840  1.0
  N  N14  1  0.902  0.727  0.130  1.0
  N  N15  1  0.165  0.959  0.630  1.0
  N  N16  1  0.739  0.036  0.893  1.0
  O  O17  1  0.194  0.124  0.130  1.0
  O  O18  1  0.985  0.801  0.349  1.0
  O  O19  1  0.028  0.439  0.913  1.0
  O  O20  1  0.854  0.713  0.583  1.0
[/CIF]
.