The material structure described by Sr5(VN3)2 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 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) 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. V(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form edge-sharing VN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(2) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one V(1) atom to form a mixture of distorted edge and corner-sharing NSr5V octahedra. The corner-sharing octahedral tilt angles range from 16-77°. In the second N site, N(3) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent V(1) atoms. In the third N site, N(1) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one V(1) atom to form a mixture of distorted edge, corner, and face-sharing NSr5V octahedra. The corner-sharing octahedral tilt angles range from 16-77°. is represented by the CIF card [CIF]
data_Sr5(VN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.160
_cell_length_b   6.599
_cell_length_c   13.728
_cell_angle_alpha   90.000
_cell_angle_beta   99.638
_cell_angle_gamma   122.389
_symmetry_Int_Tables_number   1
_cell_volume   461.856
_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  0.138  0.810  0.998  1.0
  Sr  Sr1  1  0.862  0.672  0.502  1.0
  Sr  Sr2  1  0.862  0.190  0.002  1.0
  Sr  Sr3  1  0.138  0.328  0.498  1.0
  Sr  Sr4  1  0.315  0.070  0.717  1.0
  Sr  Sr5  1  0.685  0.755  0.783  1.0
  Sr  Sr6  1  0.685  0.930  0.283  1.0
  Sr  Sr7  1  0.315  0.245  0.217  1.0
  Sr  Sr8  1  0.000  0.382  0.750  1.0
  Sr  Sr9  1  0.000  0.618  0.250  1.0
  V  V10  1  0.551  0.912  0.574  1.0
  V  V11  1  0.449  0.360  0.926  1.0
  V  V12  1  0.449  0.088  0.426  1.0
  V  V13  1  0.551  0.640  0.074  1.0
  N  N14  1  0.880  0.991  0.628  1.0
  N  N15  1  0.120  0.111  0.872  1.0
  N  N16  1  0.120  0.009  0.372  1.0
  N  N17  1  0.880  0.889  0.128  1.0
  N  N18  1  0.301  0.699  0.642  1.0
  N  N19  1  0.699  0.398  0.858  1.0
  N  N20  1  0.699  0.301  0.358  1.0
  N  N21  1  0.301  0.602  0.142  1.0
  N  N22  1  0.546  0.206  0.565  1.0
  N  N23  1  0.454  0.661  0.935  1.0
  N  N24  1  0.454  0.794  0.435  1.0
  N  N25  1  0.546  0.339  0.065  1.0
[/CIF]
.
The material structure described by Sr5(VN3)2 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 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) 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. V(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form edge-sharing VN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(2) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one V(1) atom to form a mixture of distorted edge and corner-sharing NSr5V octahedra. The corner-sharing octahedral tilt angles range from 16-77°. In the second N site, N(3) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent V(1) atoms. In the third N site, N(1) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one V(1) atom to form a mixture of distorted edge, corner, and face-sharing NSr5V octahedra. The corner-sharing octahedral tilt angles range from 16-77°. is represented by the CIF card [CIF]
data_Sr5(VN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.160
_cell_length_b   6.599
_cell_length_c   13.728
_cell_angle_alpha   90.000
_cell_angle_beta   99.638
_cell_angle_gamma   122.389
_symmetry_Int_Tables_number   1
_cell_volume   461.856
_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  0.138  0.810  0.998  1.0
  Sr  Sr1  1  0.862  0.672  0.502  1.0
  Sr  Sr2  1  0.862  0.190  0.002  1.0
  Sr  Sr3  1  0.138  0.328  0.498  1.0
  Sr  Sr4  1  0.315  0.070  0.717  1.0
  Sr  Sr5  1  0.685  0.755  0.783  1.0
  Sr  Sr6  1  0.685  0.930  0.283  1.0
  Sr  Sr7  1  0.315  0.245  0.217  1.0
  Sr  Sr8  1  0.000  0.382  0.750  1.0
  Sr  Sr9  1  0.000  0.618  0.250  1.0
  V  V10  1  0.551  0.912  0.574  1.0
  V  V11  1  0.449  0.360  0.926  1.0
  V  V12  1  0.449  0.088  0.426  1.0
  V  V13  1  0.551  0.640  0.074  1.0
  N  N14  1  0.880  0.991  0.628  1.0
  N  N15  1  0.120  0.111  0.872  1.0
  N  N16  1  0.120  0.009  0.372  1.0
  N  N17  1  0.880  0.889  0.128  1.0
  N  N18  1  0.301  0.699  0.642  1.0
  N  N19  1  0.699  0.398  0.858  1.0
  N  N20  1  0.699  0.301  0.358  1.0
  N  N21  1  0.301  0.602  0.142  1.0
  N  N22  1  0.546  0.206  0.565  1.0
  N  N23  1  0.454  0.661  0.935  1.0
  N  N24  1  0.454  0.794  0.435  1.0
  N  N25  1  0.546  0.339  0.065  1.0
[/CIF]
.