The material described by Sr3(NiN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to one N(1) and three equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing NiN4 tetrahedra. In the second Ni site, Ni(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing NiN4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ni(1), and one Ni(2) atom. In the second N site, N(2) is bonded to one Sr(2), three equivalent Sr(1), one Ni(1), and one Ni(2) atom to form a mixture of distorted edge, corner, and face-sharing NSr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 51-64°. is represented by the CIF file [CIF]
data_Sr3(NiN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.860
_cell_length_b   9.996
_cell_length_c   9.446
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   553.329
_cell_formula_units_Z   4
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  0.601  0.155  0.412  1.0
  Sr  Sr1  1  0.899  0.845  0.412  1.0
  Sr  Sr2  1  0.601  0.345  0.088  1.0
  Sr  Sr3  1  0.899  0.655  0.088  1.0
  Sr  Sr4  1  0.399  0.845  0.588  1.0
  Sr  Sr5  1  0.101  0.155  0.588  1.0
  Sr  Sr6  1  0.399  0.655  0.912  1.0
  Sr  Sr7  1  0.101  0.345  0.912  1.0
  Sr  Sr8  1  0.750  0.500  0.403  1.0
  Sr  Sr9  1  0.750  0.000  0.097  1.0
  Sr  Sr10  1  0.250  0.500  0.597  1.0
  Sr  Sr11  1  0.250  0.000  0.903  1.0
  Ni  Ni12  1  0.750  0.500  0.733  1.0
  Ni  Ni13  1  0.750  0.000  0.767  1.0
  Ni  Ni14  1  0.250  0.500  0.267  1.0
  Ni  Ni15  1  0.250  0.000  0.233  1.0
  Ni  Ni16  1  0.647  0.250  0.750  1.0
  Ni  Ni17  1  0.853  0.750  0.750  1.0
  Ni  Ni18  1  0.353  0.750  0.250  1.0
  Ni  Ni19  1  0.147  0.250  0.250  1.0
  N  N20  1  0.867  0.355  0.631  1.0
  N  N21  1  0.633  0.645  0.631  1.0
  N  N22  1  0.867  0.145  0.869  1.0
  N  N23  1  0.633  0.855  0.869  1.0
  N  N24  1  0.133  0.645  0.369  1.0
  N  N25  1  0.367  0.355  0.369  1.0
  N  N26  1  0.133  0.855  0.131  1.0
  N  N27  1  0.367  0.145  0.131  1.0
  N  N28  1  0.505  0.407  0.828  1.0
  N  N29  1  0.995  0.593  0.828  1.0
  N  N30  1  0.505  0.093  0.672  1.0
  N  N31  1  0.995  0.907  0.672  1.0
  N  N32  1  0.495  0.593  0.172  1.0
  N  N33  1  0.005  0.407  0.172  1.0
  N  N34  1  0.495  0.907  0.328  1.0
  N  N35  1  0.005  0.093  0.328  1.0
[/CIF]
.
The material described by Sr3(NiN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to one N(1) and three equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing NiN4 tetrahedra. In the second Ni site, Ni(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing NiN4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ni(1), and one Ni(2) atom. In the second N site, N(2) is bonded to one Sr(2), three equivalent Sr(1), one Ni(1), and one Ni(2) atom to form a mixture of distorted edge, corner, and face-sharing NSr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 51-64°. is represented by the CIF file [CIF]
data_Sr3(NiN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.860
_cell_length_b   9.996
_cell_length_c   9.446
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   553.329
_cell_formula_units_Z   4
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  0.601  0.155  0.412  1.0
  Sr  Sr1  1  0.899  0.845  0.412  1.0
  Sr  Sr2  1  0.601  0.345  0.088  1.0
  Sr  Sr3  1  0.899  0.655  0.088  1.0
  Sr  Sr4  1  0.399  0.845  0.588  1.0
  Sr  Sr5  1  0.101  0.155  0.588  1.0
  Sr  Sr6  1  0.399  0.655  0.912  1.0
  Sr  Sr7  1  0.101  0.345  0.912  1.0
  Sr  Sr8  1  0.750  0.500  0.403  1.0
  Sr  Sr9  1  0.750  0.000  0.097  1.0
  Sr  Sr10  1  0.250  0.500  0.597  1.0
  Sr  Sr11  1  0.250  0.000  0.903  1.0
  Ni  Ni12  1  0.750  0.500  0.733  1.0
  Ni  Ni13  1  0.750  0.000  0.767  1.0
  Ni  Ni14  1  0.250  0.500  0.267  1.0
  Ni  Ni15  1  0.250  0.000  0.233  1.0
  Ni  Ni16  1  0.647  0.250  0.750  1.0
  Ni  Ni17  1  0.853  0.750  0.750  1.0
  Ni  Ni18  1  0.353  0.750  0.250  1.0
  Ni  Ni19  1  0.147  0.250  0.250  1.0
  N  N20  1  0.867  0.355  0.631  1.0
  N  N21  1  0.633  0.645  0.631  1.0
  N  N22  1  0.867  0.145  0.869  1.0
  N  N23  1  0.633  0.855  0.869  1.0
  N  N24  1  0.133  0.645  0.369  1.0
  N  N25  1  0.367  0.355  0.369  1.0
  N  N26  1  0.133  0.855  0.131  1.0
  N  N27  1  0.367  0.145  0.131  1.0
  N  N28  1  0.505  0.407  0.828  1.0
  N  N29  1  0.995  0.593  0.828  1.0
  N  N30  1  0.505  0.093  0.672  1.0
  N  N31  1  0.995  0.907  0.672  1.0
  N  N32  1  0.495  0.593  0.172  1.0
  N  N33  1  0.005  0.407  0.172  1.0
  N  N34  1  0.495  0.907  0.328  1.0
  N  N35  1  0.005  0.093  0.328  1.0
[/CIF]
.