The compound described by Sr4N3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(2) and three equivalent N(1) atoms to form SrN4 trigonal pyramids that share corners with seven equivalent Sr(2)N5 trigonal bipyramids, corners with three equivalent Sr(1)N4 trigonal pyramids, edges with three equivalent Sr(2)N5 trigonal bipyramids, and edges with two equivalent Sr(1)N4 trigonal pyramids. In the second Sr site, Sr(2) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form distorted SrN5 trigonal bipyramids that share corners with two equivalent Sr(2)N5 trigonal bipyramids, corners with seven equivalent Sr(1)N4 trigonal pyramids, edges with five equivalent Sr(2)N5 trigonal bipyramids, and edges with three equivalent Sr(1)N4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Sr(1) and three equivalent Sr(2) atoms to form a mixture of corner, edge, and face-sharing NSr6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the second N site, N(2) is bonded to two equivalent Sr(1) and four equivalent Sr(2) atoms to form a mixture of corner, edge, and face-sharing NSr6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.081
_cell_length_b   7.081
_cell_length_c   6.560
_cell_angle_alpha   64.755
_cell_angle_beta   64.755
_cell_angle_gamma   32.101
_symmetry_Int_Tables_number   1
_cell_volume   156.630
_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  0.631  0.631  0.555  1.0
  Sr  Sr1  1  0.138  0.138  0.003  1.0
  Sr  Sr2  1  0.369  0.369  0.445  1.0
  Sr  Sr3  1  0.862  0.862  0.997  1.0
  N  N4  1  0.775  0.775  0.712  1.0
  N  N5  1  0.500  0.500  0.000  1.0
  N  N6  1  0.225  0.225  0.288  1.0
[/CIF]
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The compound described by Sr4N3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(2) and three equivalent N(1) atoms to form SrN4 trigonal pyramids that share corners with seven equivalent Sr(2)N5 trigonal bipyramids, corners with three equivalent Sr(1)N4 trigonal pyramids, edges with three equivalent Sr(2)N5 trigonal bipyramids, and edges with two equivalent Sr(1)N4 trigonal pyramids. In the second Sr site, Sr(2) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form distorted SrN5 trigonal bipyramids that share corners with two equivalent Sr(2)N5 trigonal bipyramids, corners with seven equivalent Sr(1)N4 trigonal pyramids, edges with five equivalent Sr(2)N5 trigonal bipyramids, and edges with three equivalent Sr(1)N4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Sr(1) and three equivalent Sr(2) atoms to form a mixture of corner, edge, and face-sharing NSr6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the second N site, N(2) is bonded to two equivalent Sr(1) and four equivalent Sr(2) atoms to form a mixture of corner, edge, and face-sharing NSr6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.081
_cell_length_b   7.081
_cell_length_c   6.560
_cell_angle_alpha   64.755
_cell_angle_beta   64.755
_cell_angle_gamma   32.101
_symmetry_Int_Tables_number   1
_cell_volume   156.630
_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  0.631  0.631  0.555  1.0
  Sr  Sr1  1  0.138  0.138  0.003  1.0
  Sr  Sr2  1  0.369  0.369  0.445  1.0
  Sr  Sr3  1  0.862  0.862  0.997  1.0
  N  N4  1  0.775  0.775  0.712  1.0
  N  N5  1  0.500  0.500  0.000  1.0
  N  N6  1  0.225  0.225  0.288  1.0
[/CIF]
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