The structure described by Sr5Zr2N6 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. Zr(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form edge-sharing ZrN4 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 Zr(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 Zr(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 Zr(1) atom. is represented by the CIF file [CIF]
data_Sr5Zr2N6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.663
_cell_length_b   7.173
_cell_length_c   13.880
_cell_angle_alpha   90.000
_cell_angle_beta   102.120
_cell_angle_gamma   122.566
_symmetry_Int_Tables_number   1
_cell_volume   541.460
_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  0.046  0.769  0.011  1.0
  Sr  Sr1  1  0.954  0.723  0.489  1.0
  Sr  Sr2  1  0.954  0.231  0.989  1.0
  Sr  Sr3  1  0.046  0.277  0.511  1.0
  Sr  Sr4  1  0.312  0.003  0.723  1.0
  Sr  Sr5  1  0.688  0.691  0.777  1.0
  Sr  Sr6  1  0.688  0.997  0.277  1.0
  Sr  Sr7  1  0.312  0.309  0.223  1.0
  Sr  Sr8  1  0.000  0.348  0.750  1.0
  Sr  Sr9  1  0.000  0.652  0.250  1.0
  Zr  Zr10  1  0.547  0.852  0.565  1.0
  Zr  Zr11  1  0.453  0.305  0.935  1.0
  Zr  Zr12  1  0.453  0.148  0.435  1.0
  Zr  Zr13  1  0.547  0.695  0.065  1.0
  N  N14  1  0.903  0.932  0.620  1.0
  N  N15  1  0.097  0.029  0.880  1.0
  N  N16  1  0.097  0.068  0.380  1.0
  N  N17  1  0.903  0.971  0.120  1.0
  N  N18  1  0.286  0.640  0.641  1.0
  N  N19  1  0.714  0.354  0.859  1.0
  N  N20  1  0.714  0.360  0.359  1.0
  N  N21  1  0.286  0.646  0.141  1.0
  N  N22  1  0.586  0.158  0.590  1.0
  N  N23  1  0.414  0.572  0.910  1.0
  N  N24  1  0.414  0.842  0.410  1.0
  N  N25  1  0.586  0.428  0.090  1.0
[/CIF]
.
The structure described by Sr5Zr2N6 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. Zr(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form edge-sharing ZrN4 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 Zr(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 Zr(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 Zr(1) atom. is represented by the CIF file [CIF]
data_Sr5Zr2N6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.663
_cell_length_b   7.173
_cell_length_c   13.880
_cell_angle_alpha   90.000
_cell_angle_beta   102.120
_cell_angle_gamma   122.566
_symmetry_Int_Tables_number   1
_cell_volume   541.460
_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  0.046  0.769  0.011  1.0
  Sr  Sr1  1  0.954  0.723  0.489  1.0
  Sr  Sr2  1  0.954  0.231  0.989  1.0
  Sr  Sr3  1  0.046  0.277  0.511  1.0
  Sr  Sr4  1  0.312  0.003  0.723  1.0
  Sr  Sr5  1  0.688  0.691  0.777  1.0
  Sr  Sr6  1  0.688  0.997  0.277  1.0
  Sr  Sr7  1  0.312  0.309  0.223  1.0
  Sr  Sr8  1  0.000  0.348  0.750  1.0
  Sr  Sr9  1  0.000  0.652  0.250  1.0
  Zr  Zr10  1  0.547  0.852  0.565  1.0
  Zr  Zr11  1  0.453  0.305  0.935  1.0
  Zr  Zr12  1  0.453  0.148  0.435  1.0
  Zr  Zr13  1  0.547  0.695  0.065  1.0
  N  N14  1  0.903  0.932  0.620  1.0
  N  N15  1  0.097  0.029  0.880  1.0
  N  N16  1  0.097  0.068  0.380  1.0
  N  N17  1  0.903  0.971  0.120  1.0
  N  N18  1  0.286  0.640  0.641  1.0
  N  N19  1  0.714  0.354  0.859  1.0
  N  N20  1  0.714  0.360  0.359  1.0
  N  N21  1  0.286  0.646  0.141  1.0
  N  N22  1  0.586  0.158  0.590  1.0
  N  N23  1  0.414  0.572  0.910  1.0
  N  N24  1  0.414  0.842  0.410  1.0
  N  N25  1  0.586  0.428  0.090  1.0
[/CIF]
.