The structure described by Sr5Hf2N6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Hf(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form edge-sharing HfN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(2) is bonded in a 6-coordinate geometry to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Hf(1) atom. In the second N site, N(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and two equivalent Hf(1) atoms. In the third N site, N(1) is bonded in a 6-coordinate geometry to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Hf(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5Hf2N6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.620
_cell_length_b   7.144
_cell_length_c   13.834
_cell_angle_alpha   90.000
_cell_angle_beta   101.746
_cell_angle_gamma   122.657
_symmetry_Int_Tables_number   1
_cell_volume   534.500
_cell_formula_units_Z   2
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
  Sr  Sr0  1  0.053  0.771  0.010  1.0
  Sr  Sr1  1  0.947  0.718  0.490  1.0
  Sr  Sr2  1  0.947  0.229  0.990  1.0
  Sr  Sr3  1  0.053  0.282  0.510  1.0
  Sr  Sr4  1  0.311  0.009  0.723  1.0
  Sr  Sr5  1  0.689  0.698  0.777  1.0
  Sr  Sr6  1  0.689  0.991  0.277  1.0
  Sr  Sr7  1  0.311  0.302  0.223  1.0
  Sr  Sr8  1  0.000  0.351  0.750  1.0
  Sr  Sr9  1  0.000  0.649  0.250  1.0
  Hf  Hf10  1  0.548  0.859  0.566  1.0
  Hf  Hf11  1  0.452  0.311  0.934  1.0
  Hf  Hf12  1  0.452  0.141  0.434  1.0
  Hf  Hf13  1  0.548  0.689  0.066  1.0
  N  N14  1  0.899  0.936  0.620  1.0
  N  N15  1  0.101  0.036  0.880  1.0
  N  N16  1  0.101  0.064  0.380  1.0
  N  N17  1  0.899  0.964  0.120  1.0
  N  N18  1  0.288  0.646  0.642  1.0
  N  N19  1  0.712  0.359  0.858  1.0
  N  N20  1  0.712  0.354  0.358  1.0
  N  N21  1  0.288  0.641  0.142  1.0
  N  N22  1  0.584  0.162  0.587  1.0
  N  N23  1  0.416  0.578  0.913  1.0
  N  N24  1  0.416  0.838  0.413  1.0
  N  N25  1  0.584  0.422  0.087  1.0
[/CIF]
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The structure described by Sr5Hf2N6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Hf(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form edge-sharing HfN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(2) is bonded in a 6-coordinate geometry to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Hf(1) atom. In the second N site, N(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and two equivalent Hf(1) atoms. In the third N site, N(1) is bonded in a 6-coordinate geometry to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Hf(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5Hf2N6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.620
_cell_length_b   7.144
_cell_length_c   13.834
_cell_angle_alpha   90.000
_cell_angle_beta   101.746
_cell_angle_gamma   122.657
_symmetry_Int_Tables_number   1
_cell_volume   534.500
_cell_formula_units_Z   2
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
  Sr  Sr0  1  0.053  0.771  0.010  1.0
  Sr  Sr1  1  0.947  0.718  0.490  1.0
  Sr  Sr2  1  0.947  0.229  0.990  1.0
  Sr  Sr3  1  0.053  0.282  0.510  1.0
  Sr  Sr4  1  0.311  0.009  0.723  1.0
  Sr  Sr5  1  0.689  0.698  0.777  1.0
  Sr  Sr6  1  0.689  0.991  0.277  1.0
  Sr  Sr7  1  0.311  0.302  0.223  1.0
  Sr  Sr8  1  0.000  0.351  0.750  1.0
  Sr  Sr9  1  0.000  0.649  0.250  1.0
  Hf  Hf10  1  0.548  0.859  0.566  1.0
  Hf  Hf11  1  0.452  0.311  0.934  1.0
  Hf  Hf12  1  0.452  0.141  0.434  1.0
  Hf  Hf13  1  0.548  0.689  0.066  1.0
  N  N14  1  0.899  0.936  0.620  1.0
  N  N15  1  0.101  0.036  0.880  1.0
  N  N16  1  0.101  0.064  0.380  1.0
  N  N17  1  0.899  0.964  0.120  1.0
  N  N18  1  0.288  0.646  0.642  1.0
  N  N19  1  0.712  0.359  0.858  1.0
  N  N20  1  0.712  0.354  0.358  1.0
  N  N21  1  0.288  0.641  0.142  1.0
  N  N22  1  0.584  0.162  0.587  1.0
  N  N23  1  0.416  0.578  0.913  1.0
  N  N24  1  0.416  0.838  0.413  1.0
  N  N25  1  0.584  0.422  0.087  1.0
[/CIF]
.