The material structure described by Sr4VN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one N(4), two equivalent N(2), and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded to two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms to form distorted SrN6 pentagonal pyramids that share corners with two equivalent V(1)N4 tetrahedra, edges with three equivalent Sr(2)N6 pentagonal pyramids, and edges with two equivalent V(1)N4 tetrahedra. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to one N(3), one N(4), and two equivalent N(1) atoms. In the fourth Sr site, Sr(4) is bonded in a 4-coordinate geometry to one N(2), one N(4), and two equivalent N(1) atoms. V(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form VN4 tetrahedra that share corners with two equivalent Sr(2)N6 pentagonal pyramids and edges with two equivalent Sr(2)N6 pentagonal pyramids. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to two equivalent Sr(3), two equivalent Sr(4), and one V(1) atom. In the second N site, N(2) is bonded to one Sr(4), two equivalent Sr(1), two equivalent Sr(2), and one V(1) atom to form distorted edge-sharing NSr5V octahedra. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one V(1) atom. In the fourth N site, N(4) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), two equivalent Sr(2), and one V(1) atom. is represented by the CIF file [CIF]
data_Sr4VN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.150
_cell_length_b   6.403
_cell_length_c   9.411
_cell_angle_alpha   78.296
_cell_angle_beta   77.963
_cell_angle_gamma   75.994
_symmetry_Int_Tables_number   1
_cell_volume   347.102
_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  0.761  0.585  0.131  1.0
  Sr  Sr1  1  0.239  0.415  0.869  1.0
  Sr  Sr2  1  0.711  0.160  0.991  1.0
  Sr  Sr3  1  0.289  0.840  0.009  1.0
  Sr  Sr4  1  0.766  0.403  0.614  1.0
  Sr  Sr5  1  0.234  0.597  0.386  1.0
  Sr  Sr6  1  0.243  0.946  0.625  1.0
  Sr  Sr7  1  0.757  0.054  0.375  1.0
  V  V8  1  0.757  0.808  0.770  1.0
  V  V9  1  0.243  0.192  0.230  1.0
  N  N10  1  0.905  0.767  0.583  1.0
  N  N11  1  0.095  0.233  0.417  1.0
  N  N12  1  0.971  0.813  0.883  1.0
  N  N13  1  0.029  0.187  0.117  1.0
  N  N14  1  0.628  0.574  0.847  1.0
  N  N15  1  0.372  0.426  0.153  1.0
  N  N16  1  0.469  0.938  0.219  1.0
  N  N17  1  0.531  0.062  0.781  1.0
[/CIF]
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The material structure described by Sr4VN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one N(4), two equivalent N(2), and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded to two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms to form distorted SrN6 pentagonal pyramids that share corners with two equivalent V(1)N4 tetrahedra, edges with three equivalent Sr(2)N6 pentagonal pyramids, and edges with two equivalent V(1)N4 tetrahedra. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to one N(3), one N(4), and two equivalent N(1) atoms. In the fourth Sr site, Sr(4) is bonded in a 4-coordinate geometry to one N(2), one N(4), and two equivalent N(1) atoms. V(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form VN4 tetrahedra that share corners with two equivalent Sr(2)N6 pentagonal pyramids and edges with two equivalent Sr(2)N6 pentagonal pyramids. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to two equivalent Sr(3), two equivalent Sr(4), and one V(1) atom. In the second N site, N(2) is bonded to one Sr(4), two equivalent Sr(1), two equivalent Sr(2), and one V(1) atom to form distorted edge-sharing NSr5V octahedra. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one V(1) atom. In the fourth N site, N(4) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), two equivalent Sr(2), and one V(1) atom. is represented by the CIF file [CIF]
data_Sr4VN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.150
_cell_length_b   6.403
_cell_length_c   9.411
_cell_angle_alpha   78.296
_cell_angle_beta   77.963
_cell_angle_gamma   75.994
_symmetry_Int_Tables_number   1
_cell_volume   347.102
_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  0.761  0.585  0.131  1.0
  Sr  Sr1  1  0.239  0.415  0.869  1.0
  Sr  Sr2  1  0.711  0.160  0.991  1.0
  Sr  Sr3  1  0.289  0.840  0.009  1.0
  Sr  Sr4  1  0.766  0.403  0.614  1.0
  Sr  Sr5  1  0.234  0.597  0.386  1.0
  Sr  Sr6  1  0.243  0.946  0.625  1.0
  Sr  Sr7  1  0.757  0.054  0.375  1.0
  V  V8  1  0.757  0.808  0.770  1.0
  V  V9  1  0.243  0.192  0.230  1.0
  N  N10  1  0.905  0.767  0.583  1.0
  N  N11  1  0.095  0.233  0.417  1.0
  N  N12  1  0.971  0.813  0.883  1.0
  N  N13  1  0.029  0.187  0.117  1.0
  N  N14  1  0.628  0.574  0.847  1.0
  N  N15  1  0.372  0.426  0.153  1.0
  N  N16  1  0.469  0.938  0.219  1.0
  N  N17  1  0.531  0.062  0.781  1.0
[/CIF]
.