The material described by Sr3(NiN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. In the second Sr site, Sr(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted SrN6 octahedra that share corners with four equivalent Ni(1)N4 tetrahedra, edges with two equivalent Sr(2)N6 octahedra, and edges with four equivalent Ni(1)N4 tetrahedra. Ni(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form NiN4 tetrahedra that share corners with two equivalent Sr(2)N6 octahedra, corners with two equivalent Ni(1)N4 tetrahedra, edges with two equivalent Sr(2)N6 octahedra, and  an edgeedge with one Ni(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-51°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to one Sr(2), four equivalent Sr(1), and two equivalent Ni(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Sr3(NiN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.028
_cell_length_b   8.697
_cell_length_c   5.700
_cell_angle_alpha   90.000
_cell_angle_beta   93.736
_cell_angle_gamma   128.224
_symmetry_Int_Tables_number   1
_cell_volume   272.764
_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  0.256  0.996  0.067  1.0
  Sr  Sr1  1  0.744  0.740  0.433  1.0
  Sr  Sr2  1  0.744  0.004  0.933  1.0
  Sr  Sr3  1  0.256  0.260  0.567  1.0
  Sr  Sr4  1  0.000  0.598  0.750  1.0
  Sr  Sr5  1  0.000  0.402  0.250  1.0
  Ni  Ni6  1  0.588  0.166  0.580  1.0
  Ni  Ni7  1  0.412  0.578  0.920  1.0
  Ni  Ni8  1  0.412  0.834  0.420  1.0
  Ni  Ni9  1  0.588  0.422  0.080  1.0
  N  N10  1  0.248  0.938  0.526  1.0
  N  N11  1  0.752  0.690  0.974  1.0
  N  N12  1  0.752  0.062  0.474  1.0
  N  N13  1  0.248  0.310  0.026  1.0
  N  N14  1  0.655  0.267  0.897  1.0
  N  N15  1  0.345  0.613  0.603  1.0
  N  N16  1  0.345  0.733  0.103  1.0
  N  N17  1  0.655  0.387  0.397  1.0
[/CIF]
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The material described by Sr3(NiN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. In the second Sr site, Sr(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted SrN6 octahedra that share corners with four equivalent Ni(1)N4 tetrahedra, edges with two equivalent Sr(2)N6 octahedra, and edges with four equivalent Ni(1)N4 tetrahedra. Ni(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form NiN4 tetrahedra that share corners with two equivalent Sr(2)N6 octahedra, corners with two equivalent Ni(1)N4 tetrahedra, edges with two equivalent Sr(2)N6 octahedra, and  an edgeedge with one Ni(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-51°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to one Sr(2), four equivalent Sr(1), and two equivalent Ni(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Sr3(NiN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.028
_cell_length_b   8.697
_cell_length_c   5.700
_cell_angle_alpha   90.000
_cell_angle_beta   93.736
_cell_angle_gamma   128.224
_symmetry_Int_Tables_number   1
_cell_volume   272.764
_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  0.256  0.996  0.067  1.0
  Sr  Sr1  1  0.744  0.740  0.433  1.0
  Sr  Sr2  1  0.744  0.004  0.933  1.0
  Sr  Sr3  1  0.256  0.260  0.567  1.0
  Sr  Sr4  1  0.000  0.598  0.750  1.0
  Sr  Sr5  1  0.000  0.402  0.250  1.0
  Ni  Ni6  1  0.588  0.166  0.580  1.0
  Ni  Ni7  1  0.412  0.578  0.920  1.0
  Ni  Ni8  1  0.412  0.834  0.420  1.0
  Ni  Ni9  1  0.588  0.422  0.080  1.0
  N  N10  1  0.248  0.938  0.526  1.0
  N  N11  1  0.752  0.690  0.974  1.0
  N  N12  1  0.752  0.062  0.474  1.0
  N  N13  1  0.248  0.310  0.026  1.0
  N  N14  1  0.655  0.267  0.897  1.0
  N  N15  1  0.345  0.613  0.603  1.0
  N  N16  1  0.345  0.733  0.103  1.0
  N  N17  1  0.655  0.387  0.397  1.0
[/CIF]
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