The compound described by Sr2NiN2 crystallizes in the tetragonal I4mm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(2) and four equivalent N(1) atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. In the second Sr site, Sr(2) is bonded to one N(1) and four equivalent N(2) atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. Ni(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Sr(2), four equivalent Sr(1), and one Ni(1) atom to form a mixture of edge and corner-sharing NSr5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second N site, N(2) is bonded to one Sr(1), four equivalent Sr(2), and one Ni(1) atom to form a mixture of edge and corner-sharing NSr5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF card [CIF]
data_Sr2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.852
_cell_length_b   3.852
_cell_length_c   6.805
_cell_angle_alpha   73.561
_cell_angle_beta   73.561
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   92.508
_cell_formula_units_Z   1
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  0.643  0.643  0.714  1.0
  Sr  Sr1  1  0.347  0.347  0.306  1.0
  Ni  Ni2  1  0.994  0.994  0.012  1.0
  N  N3  1  0.135  0.135  0.730  1.0
  N  N4  1  0.853  0.853  0.294  1.0
[/CIF]
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The compound described by Sr2NiN2 crystallizes in the tetragonal I4mm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(2) and four equivalent N(1) atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. In the second Sr site, Sr(2) is bonded to one N(1) and four equivalent N(2) atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. Ni(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Sr(2), four equivalent Sr(1), and one Ni(1) atom to form a mixture of edge and corner-sharing NSr5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second N site, N(2) is bonded to one Sr(1), four equivalent Sr(2), and one Ni(1) atom to form a mixture of edge and corner-sharing NSr5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF card [CIF]
data_Sr2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.852
_cell_length_b   3.852
_cell_length_c   6.805
_cell_angle_alpha   73.561
_cell_angle_beta   73.561
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   92.508
_cell_formula_units_Z   1
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  0.643  0.643  0.714  1.0
  Sr  Sr1  1  0.347  0.347  0.306  1.0
  Ni  Ni2  1  0.994  0.994  0.012  1.0
  N  N3  1  0.135  0.135  0.730  1.0
  N  N4  1  0.853  0.853  0.294  1.0
[/CIF]
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