The material described by CaHf8(N2O)4 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 4-coordinate geometry to one N(2), one N(6), one O(1), and one O(2) atom. There are eight inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(4), one N(6), one O(1), and one O(2) atom. 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 Hf(3)N4O2 octahedra, corners with three equivalent Hf(7)N4O2 octahedra, and corners with three equivalent Hf(4)N4O trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-62°. 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 a mixture of distorted corner, edge, and face-sharing HfN4O2 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the fourth Hf site, Hf(4) is bonded to one N(1), one N(3), one N(4), one N(7), and one O(4) atom to form a mixture of distorted corner and edge-sharing HfN4O trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-60°. In the fifth Hf site, Hf(5) is bonded in a 6-coordinate geometry to one N(1), one N(3), 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 distorted HfN4O2 octahedra that share corners with three equivalent Hf(7)N4O2 octahedra,  an edgeedge with one Hf(4)N4O trigonal bipyramid, and  a faceface with one Hf(3)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 19-25°. 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 corner and edge-sharing HfN4O2 octahedra. The corner-sharing octahedral tilt angles range from 19-52°. In the eighth Hf site, Hf(8) is bonded in a 6-coordinate geometry to one N(3), one N(5), one N(7), one N(8), one O(3), and one O(4) atom. There are eight inequivalent N sites. In the first N site, N(1) 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 O(1)CaHf4 trigonal bipyramids,  an edgeedge with one N(6)CaHf4 trigonal bipyramid, and  an edgeedge with one O(4)Hf4 trigonal pyramid. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Ca(1), one Hf(1), one Hf(3), one Hf(6), and one Hf(7) atom. In the third N site, N(3) is bonded in a distorted see-saw-like geometry to one Hf(2), one Hf(4), one Hf(5), and one Hf(8) atom. In the fourth N site, N(4) 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 fifth N site, N(5) 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(6)CaHf4 trigonal bipyramids,  an edgeedge with one O(1)CaHf4 trigonal bipyramid, and  an edgeedge with one O(4)Hf4 trigonal pyramid. In the sixth N site, N(6) is bonded to one Ca(1), one Hf(1), one Hf(3), one Hf(6), and one Hf(7) atom to form distorted NCaHf4 trigonal bipyramids that share  a cornercorner with one O(1)CaHf4 trigonal bipyramid, corners with two equivalent N(5)Hf4 trigonal pyramids, edges with two equivalent O(1)CaHf4 trigonal bipyramids, and  an edgeedge with one N(1)Hf4 trigonal pyramid. In the seventh N site, N(7) is bonded in a 4-coordinate geometry to one Hf(2), one Hf(4), one Hf(5), and one Hf(8) atom. In the eighth N site, N(8) is bonded in a 4-coordinate 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 Ca(1), one Hf(1), one Hf(3), one Hf(6), and one Hf(7) atom to form distorted OCaHf4 trigonal bipyramids that share  a cornercorner with one N(6)CaHf4 trigonal bipyramid, corners with two equivalent N(1)Hf4 trigonal pyramids, edges with two equivalent N(6)CaHf4 trigonal bipyramids, and  an edgeedge with one N(5)Hf4 trigonal pyramid. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Hf(1), one Hf(5), and one Hf(6) atom. In the third O site, O(3) is bonded in a rectangular 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 to one Hf(2), one Hf(4), one Hf(5), and one Hf(8) atom to form distorted OHf4 trigonal pyramids that share  an edgeedge with one N(1)Hf4 trigonal pyramid and  an edgeedge with one N(5)Hf4 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaHf8(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.448
_cell_length_b   5.615
_cell_length_c   11.511
_cell_angle_alpha   102.571
_cell_angle_beta   76.289
_cell_angle_gamma   60.690
_symmetry_Int_Tables_number   1
_cell_volume   274.199
_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
  Ca  Ca0  1  0.746  0.376  0.142  1.0
  Hf  Hf1  1  0.254  0.215  0.296  1.0
  Hf  Hf2  1  0.112  0.020  0.773  1.0
  Hf  Hf3  1  0.266  0.554  0.969  1.0
  Hf  Hf4  1  0.652  0.185  0.557  1.0
  Hf  Hf5  1  0.476  0.710  0.466  1.0
  Hf  Hf6  1  0.955  0.816  0.267  1.0
  Hf  Hf7  1  0.558  0.938  0.001  1.0
  Hf  Hf8  1  0.860  0.609  0.707  1.0
  N  N9  1  0.505  0.026  0.403  1.0
  N  N10  1  0.209  0.361  0.122  1.0
  N  N11  1  0.263  0.605  0.633  1.0
  N  N12  1  0.868  0.237  0.394  1.0
  N  N13  1  0.403  0.777  0.867  1.0
  N  N14  1  0.797  0.917  0.122  1.0
  N  N15  1  0.983  0.185  0.628  1.0
  N  N16  1  0.697  0.112  0.876  1.0
  O  O17  1  0.354  0.786  0.126  1.0
  O  O18  1  0.307  0.580  0.341  1.0
  O  O19  1  0.028  0.468  0.863  1.0
  O  O20  1  0.609  0.865  0.621  1.0
[/CIF]
.
The material described by CaHf8(N2O)4 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 4-coordinate geometry to one N(2), one N(6), one O(1), and one O(2) atom. There are eight inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(4), one N(6), one O(1), and one O(2) atom. 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 Hf(3)N4O2 octahedra, corners with three equivalent Hf(7)N4O2 octahedra, and corners with three equivalent Hf(4)N4O trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-62°. 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 a mixture of distorted corner, edge, and face-sharing HfN4O2 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the fourth Hf site, Hf(4) is bonded to one N(1), one N(3), one N(4), one N(7), and one O(4) atom to form a mixture of distorted corner and edge-sharing HfN4O trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-60°. In the fifth Hf site, Hf(5) is bonded in a 6-coordinate geometry to one N(1), one N(3), 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 distorted HfN4O2 octahedra that share corners with three equivalent Hf(7)N4O2 octahedra,  an edgeedge with one Hf(4)N4O trigonal bipyramid, and  a faceface with one Hf(3)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 19-25°. 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 corner and edge-sharing HfN4O2 octahedra. The corner-sharing octahedral tilt angles range from 19-52°. In the eighth Hf site, Hf(8) is bonded in a 6-coordinate geometry to one N(3), one N(5), one N(7), one N(8), one O(3), and one O(4) atom. There are eight inequivalent N sites. In the first N site, N(1) 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 O(1)CaHf4 trigonal bipyramids,  an edgeedge with one N(6)CaHf4 trigonal bipyramid, and  an edgeedge with one O(4)Hf4 trigonal pyramid. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Ca(1), one Hf(1), one Hf(3), one Hf(6), and one Hf(7) atom. In the third N site, N(3) is bonded in a distorted see-saw-like geometry to one Hf(2), one Hf(4), one Hf(5), and one Hf(8) atom. In the fourth N site, N(4) 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 fifth N site, N(5) 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(6)CaHf4 trigonal bipyramids,  an edgeedge with one O(1)CaHf4 trigonal bipyramid, and  an edgeedge with one O(4)Hf4 trigonal pyramid. In the sixth N site, N(6) is bonded to one Ca(1), one Hf(1), one Hf(3), one Hf(6), and one Hf(7) atom to form distorted NCaHf4 trigonal bipyramids that share  a cornercorner with one O(1)CaHf4 trigonal bipyramid, corners with two equivalent N(5)Hf4 trigonal pyramids, edges with two equivalent O(1)CaHf4 trigonal bipyramids, and  an edgeedge with one N(1)Hf4 trigonal pyramid. In the seventh N site, N(7) is bonded in a 4-coordinate geometry to one Hf(2), one Hf(4), one Hf(5), and one Hf(8) atom. In the eighth N site, N(8) is bonded in a 4-coordinate 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 Ca(1), one Hf(1), one Hf(3), one Hf(6), and one Hf(7) atom to form distorted OCaHf4 trigonal bipyramids that share  a cornercorner with one N(6)CaHf4 trigonal bipyramid, corners with two equivalent N(1)Hf4 trigonal pyramids, edges with two equivalent N(6)CaHf4 trigonal bipyramids, and  an edgeedge with one N(5)Hf4 trigonal pyramid. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Hf(1), one Hf(5), and one Hf(6) atom. In the third O site, O(3) is bonded in a rectangular 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 to one Hf(2), one Hf(4), one Hf(5), and one Hf(8) atom to form distorted OHf4 trigonal pyramids that share  an edgeedge with one N(1)Hf4 trigonal pyramid and  an edgeedge with one N(5)Hf4 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaHf8(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.448
_cell_length_b   5.615
_cell_length_c   11.511
_cell_angle_alpha   102.571
_cell_angle_beta   76.289
_cell_angle_gamma   60.690
_symmetry_Int_Tables_number   1
_cell_volume   274.199
_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
  Ca  Ca0  1  0.746  0.376  0.142  1.0
  Hf  Hf1  1  0.254  0.215  0.296  1.0
  Hf  Hf2  1  0.112  0.020  0.773  1.0
  Hf  Hf3  1  0.266  0.554  0.969  1.0
  Hf  Hf4  1  0.652  0.185  0.557  1.0
  Hf  Hf5  1  0.476  0.710  0.466  1.0
  Hf  Hf6  1  0.955  0.816  0.267  1.0
  Hf  Hf7  1  0.558  0.938  0.001  1.0
  Hf  Hf8  1  0.860  0.609  0.707  1.0
  N  N9  1  0.505  0.026  0.403  1.0
  N  N10  1  0.209  0.361  0.122  1.0
  N  N11  1  0.263  0.605  0.633  1.0
  N  N12  1  0.868  0.237  0.394  1.0
  N  N13  1  0.403  0.777  0.867  1.0
  N  N14  1  0.797  0.917  0.122  1.0
  N  N15  1  0.983  0.185  0.628  1.0
  N  N16  1  0.697  0.112  0.876  1.0
  O  O17  1  0.354  0.786  0.126  1.0
  O  O18  1  0.307  0.580  0.341  1.0
  O  O19  1  0.028  0.468  0.863  1.0
  O  O20  1  0.609  0.865  0.621  1.0
[/CIF]
.