The material described by Sr3NiN3 crystallizes in the hexagonal P6_3/m space group. Sr(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. Ni(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to five equivalent Sr(1) and one Ni(1) atom to form a mixture of distorted corner and edge-sharing NSr5Ni octahedra. The corner-sharing octahedral tilt angles range from 14-48°. is represented by the CIF file [CIF]
data_Sr3NiN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.542
_cell_length_b   7.541
_cell_length_c   5.384
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.988
_symmetry_Int_Tables_number   1
_cell_volume   265.211
_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  0.916  0.636  0.250  1.0
  Sr  Sr1  1  0.720  0.084  0.250  1.0
  Sr  Sr2  1  0.364  0.280  0.250  1.0
  Sr  Sr3  1  0.084  0.364  0.750  1.0
  Sr  Sr4  1  0.280  0.916  0.750  1.0
  Sr  Sr5  1  0.636  0.720  0.750  1.0
  Ni  Ni6  1  0.667  0.333  0.750  1.0
  Ni  Ni7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.891  0.585  0.750  1.0
  N  N9  1  0.694  0.109  0.750  1.0
  N  N10  1  0.415  0.306  0.750  1.0
  N  N11  1  0.109  0.415  0.250  1.0
  N  N12  1  0.306  0.891  0.250  1.0
  N  N13  1  0.585  0.694  0.250  1.0
[/CIF]
.
The material described by Sr3NiN3 crystallizes in the hexagonal P6_3/m space group. Sr(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. Ni(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to five equivalent Sr(1) and one Ni(1) atom to form a mixture of distorted corner and edge-sharing NSr5Ni octahedra. The corner-sharing octahedral tilt angles range from 14-48°. is represented by the CIF file [CIF]
data_Sr3NiN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.542
_cell_length_b   7.541
_cell_length_c   5.384
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.988
_symmetry_Int_Tables_number   1
_cell_volume   265.211
_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  0.916  0.636  0.250  1.0
  Sr  Sr1  1  0.720  0.084  0.250  1.0
  Sr  Sr2  1  0.364  0.280  0.250  1.0
  Sr  Sr3  1  0.084  0.364  0.750  1.0
  Sr  Sr4  1  0.280  0.916  0.750  1.0
  Sr  Sr5  1  0.636  0.720  0.750  1.0
  Ni  Ni6  1  0.667  0.333  0.750  1.0
  Ni  Ni7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.891  0.585  0.750  1.0
  N  N9  1  0.694  0.109  0.750  1.0
  N  N10  1  0.415  0.306  0.750  1.0
  N  N11  1  0.109  0.415  0.250  1.0
  N  N12  1  0.306  0.891  0.250  1.0
  N  N13  1  0.585  0.694  0.250  1.0
[/CIF]
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