The structure described by Sr4In2N crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to six equivalent In(1) and one N(1) atom. In the second Sr site, Sr(2) is bonded in a linear geometry to four equivalent In(1) and two equivalent N(1) atoms. In(1) is bonded to four equivalent Sr(2), six equivalent Sr(1), and two equivalent In(1) atoms to form distorted InSr10In2 cuboctahedra that share corners with eight equivalent In(1)Sr10In2 cuboctahedra, corners with two equivalent N(1)Sr6 octahedra, edges with four equivalent In(1)Sr10In2 cuboctahedra, faces with seven equivalent In(1)Sr10In2 cuboctahedra, and faces with four equivalent N(1)Sr6 octahedra. The corner-sharing octahedral tilt angles are 48°. N(1) is bonded to two equivalent Sr(1) and four equivalent Sr(2) atoms to form NSr6 octahedra that share corners with four equivalent In(1)Sr10In2 cuboctahedra, corners with four equivalent N(1)Sr6 octahedra, and faces with eight equivalent In(1)Sr10In2 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4In2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.774
_cell_length_b   15.774
_cell_length_c   15.774
_cell_angle_alpha   160.841
_cell_angle_beta   160.841
_cell_angle_gamma   27.224
_symmetry_Int_Tables_number   1
_cell_volume   422.571
_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  0.668  0.168  0.500  1.0
  Sr  Sr1  1  0.500  1.000  0.500  1.0
  Sr  Sr2  1  0.832  0.332  0.500  1.0
  Sr  Sr3  1  0.918  0.918  0.000  1.0
  Sr  Sr4  1  0.082  0.082  0.000  1.0
  Sr  Sr5  1  0.000  0.500  0.500  1.0
  Sr  Sr6  1  0.250  0.250  0.000  1.0
  Sr  Sr7  1  0.750  0.750  0.000  1.0
  In  In8  1  0.409  0.409  0.000  1.0
  In  In9  1  0.159  0.659  0.500  1.0
  In  In10  1  0.591  0.591  0.000  1.0
  In  In11  1  0.341  0.841  0.500  1.0
  N  N12  1  0.750  0.250  0.500  1.0
  N  N13  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Sr4In2N crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to six equivalent In(1) and one N(1) atom. In the second Sr site, Sr(2) is bonded in a linear geometry to four equivalent In(1) and two equivalent N(1) atoms. In(1) is bonded to four equivalent Sr(2), six equivalent Sr(1), and two equivalent In(1) atoms to form distorted InSr10In2 cuboctahedra that share corners with eight equivalent In(1)Sr10In2 cuboctahedra, corners with two equivalent N(1)Sr6 octahedra, edges with four equivalent In(1)Sr10In2 cuboctahedra, faces with seven equivalent In(1)Sr10In2 cuboctahedra, and faces with four equivalent N(1)Sr6 octahedra. The corner-sharing octahedral tilt angles are 48°. N(1) is bonded to two equivalent Sr(1) and four equivalent Sr(2) atoms to form NSr6 octahedra that share corners with four equivalent In(1)Sr10In2 cuboctahedra, corners with four equivalent N(1)Sr6 octahedra, and faces with eight equivalent In(1)Sr10In2 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4In2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.774
_cell_length_b   15.774
_cell_length_c   15.774
_cell_angle_alpha   160.841
_cell_angle_beta   160.841
_cell_angle_gamma   27.224
_symmetry_Int_Tables_number   1
_cell_volume   422.571
_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  0.668  0.168  0.500  1.0
  Sr  Sr1  1  0.500  1.000  0.500  1.0
  Sr  Sr2  1  0.832  0.332  0.500  1.0
  Sr  Sr3  1  0.918  0.918  0.000  1.0
  Sr  Sr4  1  0.082  0.082  0.000  1.0
  Sr  Sr5  1  0.000  0.500  0.500  1.0
  Sr  Sr6  1  0.250  0.250  0.000  1.0
  Sr  Sr7  1  0.750  0.750  0.000  1.0
  In  In8  1  0.409  0.409  0.000  1.0
  In  In9  1  0.159  0.659  0.500  1.0
  In  In10  1  0.591  0.591  0.000  1.0
  In  In11  1  0.341  0.841  0.500  1.0
  N  N12  1  0.750  0.250  0.500  1.0
  N  N13  1  0.000  0.000  0.000  1.0
[/CIF]
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