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(5), one N(8), one O(1), and one O(3) atom. 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), and one O(2) atom to form a mixture of distorted edge and corner-sharing HfN4O trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-65°. 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 corner-sharing HfN4O2 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. 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 pentagonal pyramids that share corners with three equivalent Hf(2)N4O2 octahedra and  an edgeedge with one Hf(1)N4O trigonal bipyramid. The corner-sharing octahedral tilt angles range from 17-32°. 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 HfN4O2 octahedra that share corners with three equivalent Hf(2)N4O2 octahedra and corners with three equivalent Hf(1)N4O trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-54°. 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 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 seventh Hf site, Hf(7) 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 eighth Hf site, Hf(8) is bonded in a 5-coordinate geometry to one N(3), one N(5), one N(7), one N(8), 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 N(7)Hf4 trigonal pyramids and  an edgeedge with one O(4)Hf4 trigonal pyramid. 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 in a 4-coordinate 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 3-coordinate 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 in a 5-coordinate geometry to one Ca(1), one Hf(2), one Hf(3), one Hf(7), and one Hf(8) atom. In the sixth N site, N(6) is bonded in a distorted see-saw-like geometry to one Hf(1), one Hf(3), one Hf(6), and one Hf(7) atom. In the seventh N site, N(7) is bonded to one Hf(2), one Hf(4), one Hf(5), and one Hf(8) atom to form distorted NHf4 trigonal pyramids that share corners with two equivalent N(1)Hf4 trigonal pyramids, corners with two equivalent O(4)Hf4 trigonal pyramids, and  an edgeedge with one O(4)Hf4 trigonal pyramid. In the eighth N site, N(8) is bonded in a 4-coordinate geometry to one Ca(1), 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 in a rectangular see-saw-like geometry to one Ca(1), one Hf(3), one Hf(6), and one Hf(7) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Hf(1), one Hf(4), one Hf(5), and one Hf(6) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Hf(2), one Hf(3), and one Hf(7) 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 corners with two equivalent N(7)Hf4 trigonal pyramids,  an edgeedge with one N(1)Hf4 trigonal pyramid, and  an edgeedge with one N(7)Hf4 trigonal pyramid. is represented by the CIF card [CIF]
data_CaHf8(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.455
_cell_length_b   5.653
_cell_length_c   11.448
_cell_angle_alpha   102.037
_cell_angle_beta   76.835
_cell_angle_gamma   60.611
_symmetry_Int_Tables_number   1
_cell_volume   277.309
_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  0.226  0.633  0.888  1.0
  Hf  Hf1  1  0.117  0.435  0.312  1.0
  Hf  Hf2  1  0.993  0.170  0.755  1.0
  Hf  Hf3  1  0.448  0.069  0.013  1.0
  Hf  Hf4  1  0.581  0.304  0.519  1.0
  Hf  Hf5  1  0.315  0.895  0.463  1.0
  Hf  Hf6  1  0.841  0.946  0.206  1.0
  Hf  Hf7  1  0.732  0.473  0.050  1.0
  Hf  Hf8  1  0.757  0.766  0.709  1.0
  N  N9  1  0.436  0.119  0.373  1.0
  N  N10  1  0.569  0.268  0.146  1.0
  N  N11  1  0.169  0.710  0.628  1.0
  N  N12  1  0.710  0.469  0.391  1.0
  N  N13  1  0.782  0.612  0.867  1.0
  N  N14  1  0.001  0.482  0.148  1.0
  N  N15  1  0.869  0.318  0.611  1.0
  N  N16  1  0.634  0.162  0.860  1.0
  O  O17  1  0.272  0.826  0.090  1.0
  O  O18  1  0.028  0.843  0.380  1.0
  O  O19  1  0.160  0.081  0.901  1.0
  O  O20  1  0.464  0.022  0.622  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(5), one N(8), one O(1), and one O(3) atom. 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), and one O(2) atom to form a mixture of distorted edge and corner-sharing HfN4O trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-65°. 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 corner-sharing HfN4O2 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. 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 pentagonal pyramids that share corners with three equivalent Hf(2)N4O2 octahedra and  an edgeedge with one Hf(1)N4O trigonal bipyramid. The corner-sharing octahedral tilt angles range from 17-32°. 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 HfN4O2 octahedra that share corners with three equivalent Hf(2)N4O2 octahedra and corners with three equivalent Hf(1)N4O trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-54°. 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 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 seventh Hf site, Hf(7) 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 eighth Hf site, Hf(8) is bonded in a 5-coordinate geometry to one N(3), one N(5), one N(7), one N(8), 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 N(7)Hf4 trigonal pyramids and  an edgeedge with one O(4)Hf4 trigonal pyramid. 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 in a 4-coordinate 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 3-coordinate 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 in a 5-coordinate geometry to one Ca(1), one Hf(2), one Hf(3), one Hf(7), and one Hf(8) atom. In the sixth N site, N(6) is bonded in a distorted see-saw-like geometry to one Hf(1), one Hf(3), one Hf(6), and one Hf(7) atom. In the seventh N site, N(7) is bonded to one Hf(2), one Hf(4), one Hf(5), and one Hf(8) atom to form distorted NHf4 trigonal pyramids that share corners with two equivalent N(1)Hf4 trigonal pyramids, corners with two equivalent O(4)Hf4 trigonal pyramids, and  an edgeedge with one O(4)Hf4 trigonal pyramid. In the eighth N site, N(8) is bonded in a 4-coordinate geometry to one Ca(1), 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 in a rectangular see-saw-like geometry to one Ca(1), one Hf(3), one Hf(6), and one Hf(7) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Hf(1), one Hf(4), one Hf(5), and one Hf(6) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Hf(2), one Hf(3), and one Hf(7) 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 corners with two equivalent N(7)Hf4 trigonal pyramids,  an edgeedge with one N(1)Hf4 trigonal pyramid, and  an edgeedge with one N(7)Hf4 trigonal pyramid. is represented by the CIF card [CIF]
data_CaHf8(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.455
_cell_length_b   5.653
_cell_length_c   11.448
_cell_angle_alpha   102.037
_cell_angle_beta   76.835
_cell_angle_gamma   60.611
_symmetry_Int_Tables_number   1
_cell_volume   277.309
_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  0.226  0.633  0.888  1.0
  Hf  Hf1  1  0.117  0.435  0.312  1.0
  Hf  Hf2  1  0.993  0.170  0.755  1.0
  Hf  Hf3  1  0.448  0.069  0.013  1.0
  Hf  Hf4  1  0.581  0.304  0.519  1.0
  Hf  Hf5  1  0.315  0.895  0.463  1.0
  Hf  Hf6  1  0.841  0.946  0.206  1.0
  Hf  Hf7  1  0.732  0.473  0.050  1.0
  Hf  Hf8  1  0.757  0.766  0.709  1.0
  N  N9  1  0.436  0.119  0.373  1.0
  N  N10  1  0.569  0.268  0.146  1.0
  N  N11  1  0.169  0.710  0.628  1.0
  N  N12  1  0.710  0.469  0.391  1.0
  N  N13  1  0.782  0.612  0.867  1.0
  N  N14  1  0.001  0.482  0.148  1.0
  N  N15  1  0.869  0.318  0.611  1.0
  N  N16  1  0.634  0.162  0.860  1.0
  O  O17  1  0.272  0.826  0.090  1.0
  O  O18  1  0.028  0.843  0.380  1.0
  O  O19  1  0.160  0.081  0.901  1.0
  O  O20  1  0.464  0.022  0.622  1.0
[/CIF]
.