The structure described by Sr3ZrN3 crystallizes in the hexagonal P6_3/m space group. Sr(1) is bonded in a see-saw-like geometry to four equivalent N(1) atoms. Zr(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to four equivalent Sr(1) and one Zr(1) atom to form a mixture of distorted edge and corner-sharing NSr4Zr trigonal bipyramids. is represented by the CIF card [CIF]
data_Sr3ZrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.228
_cell_length_b   8.228
_cell_length_c   5.386
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   315.748
_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  0.887  0.661  0.250  1.0
  Sr  Sr1  1  0.774  0.113  0.250  1.0
  Sr  Sr2  1  0.339  0.226  0.250  1.0
  Sr  Sr3  1  0.113  0.339  0.750  1.0
  Sr  Sr4  1  0.226  0.887  0.750  1.0
  Sr  Sr5  1  0.661  0.774  0.750  1.0
  Zr  Zr6  1  0.667  0.333  0.750  1.0
  Zr  Zr7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.862  0.618  0.750  1.0
  N  N9  1  0.756  0.138  0.750  1.0
  N  N10  1  0.382  0.244  0.750  1.0
  N  N11  1  0.138  0.382  0.250  1.0
  N  N12  1  0.244  0.862  0.250  1.0
  N  N13  1  0.618  0.756  0.250  1.0
[/CIF]
.
The structure described by Sr3ZrN3 crystallizes in the hexagonal P6_3/m space group. Sr(1) is bonded in a see-saw-like geometry to four equivalent N(1) atoms. Zr(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to four equivalent Sr(1) and one Zr(1) atom to form a mixture of distorted edge and corner-sharing NSr4Zr trigonal bipyramids. is represented by the CIF card [CIF]
data_Sr3ZrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.228
_cell_length_b   8.228
_cell_length_c   5.386
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   315.748
_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  0.887  0.661  0.250  1.0
  Sr  Sr1  1  0.774  0.113  0.250  1.0
  Sr  Sr2  1  0.339  0.226  0.250  1.0
  Sr  Sr3  1  0.113  0.339  0.750  1.0
  Sr  Sr4  1  0.226  0.887  0.750  1.0
  Sr  Sr5  1  0.661  0.774  0.750  1.0
  Zr  Zr6  1  0.667  0.333  0.750  1.0
  Zr  Zr7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.862  0.618  0.750  1.0
  N  N9  1  0.756  0.138  0.750  1.0
  N  N10  1  0.382  0.244  0.750  1.0
  N  N11  1  0.138  0.382  0.250  1.0
  N  N12  1  0.244  0.862  0.250  1.0
  N  N13  1  0.618  0.756  0.250  1.0
[/CIF]
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