The structure described by Ba3Sr3(SbN)2 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded in a distorted L-shaped geometry to two equivalent Sb(1), two equivalent Sb(2), and two equivalent N(1) atoms. Sr(1) is bonded in a linear geometry to two equivalent Sb(1), two equivalent Sb(2), and two equivalent N(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to six equivalent Ba(1) and six equivalent Sr(1) atoms to form SbBa6Sr6 cuboctahedra that share corners with six equivalent Sb(1)Ba6Sr6 cuboctahedra, corners with six equivalent N(1)Ba3Sr3 octahedra, faces with two equivalent Sb(1)Ba6Sr6 cuboctahedra, faces with six equivalent Sb(2)Ba6Sr6 cuboctahedra, and faces with six equivalent N(1)Ba3Sr3 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Sb site, Sb(2) is bonded to six equivalent Ba(1) and six equivalent Sr(1) atoms to form SbBa6Sr6 cuboctahedra that share corners with twelve equivalent Sb(2)Ba6Sr6 cuboctahedra, faces with six equivalent Sb(1)Ba6Sr6 cuboctahedra, and faces with eight equivalent N(1)Ba3Sr3 octahedra. N(1) is bonded to three equivalent Ba(1) and three equivalent Sr(1) atoms to form NBa3Sr3 octahedra that share corners with three equivalent Sb(1)Ba6Sr6 cuboctahedra, corners with three equivalent N(1)Ba3Sr3 octahedra, faces with three equivalent Sb(1)Ba6Sr6 cuboctahedra, faces with four equivalent Sb(2)Ba6Sr6 cuboctahedra, and  a faceface with one N(1)Ba3Sr3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ba3Sr3(SbN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.547
_cell_length_b   7.547
_cell_length_c   12.717
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   627.220
_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
  Ba  Ba0  1  0.827  0.173  0.750  1.0
  Ba  Ba1  1  0.173  0.827  0.250  1.0
  Ba  Ba2  1  0.345  0.173  0.750  1.0
  Ba  Ba3  1  0.655  0.827  0.250  1.0
  Ba  Ba4  1  0.827  0.655  0.750  1.0
  Ba  Ba5  1  0.173  0.345  0.250  1.0
  Sr  Sr6  1  0.500  0.500  0.000  1.0
  Sr  Sr7  1  0.000  0.500  0.000  1.0
  Sr  Sr8  1  0.500  0.500  0.500  1.0
  Sr  Sr9  1  0.500  0.000  0.000  1.0
  Sr  Sr10  1  0.000  0.500  0.500  1.0
  Sr  Sr11  1  0.500  0.000  0.500  1.0
  Sb  Sb12  1  0.000  0.000  0.000  1.0
  Sb  Sb13  1  0.000  0.000  0.500  1.0
  Sb  Sb14  1  0.667  0.333  0.250  1.0
  Sb  Sb15  1  0.333  0.667  0.750  1.0
  N  N16  1  0.667  0.333  0.887  1.0
  N  N17  1  0.333  0.667  0.113  1.0
  N  N18  1  0.333  0.667  0.387  1.0
  N  N19  1  0.667  0.333  0.613  1.0
[/CIF]
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The structure described by Ba3Sr3(SbN)2 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded in a distorted L-shaped geometry to two equivalent Sb(1), two equivalent Sb(2), and two equivalent N(1) atoms. Sr(1) is bonded in a linear geometry to two equivalent Sb(1), two equivalent Sb(2), and two equivalent N(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to six equivalent Ba(1) and six equivalent Sr(1) atoms to form SbBa6Sr6 cuboctahedra that share corners with six equivalent Sb(1)Ba6Sr6 cuboctahedra, corners with six equivalent N(1)Ba3Sr3 octahedra, faces with two equivalent Sb(1)Ba6Sr6 cuboctahedra, faces with six equivalent Sb(2)Ba6Sr6 cuboctahedra, and faces with six equivalent N(1)Ba3Sr3 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Sb site, Sb(2) is bonded to six equivalent Ba(1) and six equivalent Sr(1) atoms to form SbBa6Sr6 cuboctahedra that share corners with twelve equivalent Sb(2)Ba6Sr6 cuboctahedra, faces with six equivalent Sb(1)Ba6Sr6 cuboctahedra, and faces with eight equivalent N(1)Ba3Sr3 octahedra. N(1) is bonded to three equivalent Ba(1) and three equivalent Sr(1) atoms to form NBa3Sr3 octahedra that share corners with three equivalent Sb(1)Ba6Sr6 cuboctahedra, corners with three equivalent N(1)Ba3Sr3 octahedra, faces with three equivalent Sb(1)Ba6Sr6 cuboctahedra, faces with four equivalent Sb(2)Ba6Sr6 cuboctahedra, and  a faceface with one N(1)Ba3Sr3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ba3Sr3(SbN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.547
_cell_length_b   7.547
_cell_length_c   12.717
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   627.220
_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
  Ba  Ba0  1  0.827  0.173  0.750  1.0
  Ba  Ba1  1  0.173  0.827  0.250  1.0
  Ba  Ba2  1  0.345  0.173  0.750  1.0
  Ba  Ba3  1  0.655  0.827  0.250  1.0
  Ba  Ba4  1  0.827  0.655  0.750  1.0
  Ba  Ba5  1  0.173  0.345  0.250  1.0
  Sr  Sr6  1  0.500  0.500  0.000  1.0
  Sr  Sr7  1  0.000  0.500  0.000  1.0
  Sr  Sr8  1  0.500  0.500  0.500  1.0
  Sr  Sr9  1  0.500  0.000  0.000  1.0
  Sr  Sr10  1  0.000  0.500  0.500  1.0
  Sr  Sr11  1  0.500  0.000  0.500  1.0
  Sb  Sb12  1  0.000  0.000  0.000  1.0
  Sb  Sb13  1  0.000  0.000  0.500  1.0
  Sb  Sb14  1  0.667  0.333  0.250  1.0
  Sb  Sb15  1  0.333  0.667  0.750  1.0
  N  N16  1  0.667  0.333  0.887  1.0
  N  N17  1  0.333  0.667  0.113  1.0
  N  N18  1  0.333  0.667  0.387  1.0
  N  N19  1  0.667  0.333  0.613  1.0
[/CIF]
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