The material structure described by Sr12Sn4N3 crystallizes in the tetragonal P4/mmm space group. There are five inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to four equivalent Sn(1) and one N(1) atom. In the second Sr site, Sr(2) is bonded in a linear geometry to four equivalent Sn(2), one N(1), and one N(2) atom. In the third Sr site, Sr(3) is bonded in a distorted square co-planar geometry to four equivalent Sn(1) atoms. In the fourth Sr site, Sr(4) is bonded in a linear geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent N(1) atoms. In the fifth Sr site, Sr(5) is bonded in a linear geometry to four equivalent Sn(2) and two equivalent N(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Sr(1), four equivalent Sr(3), and four equivalent Sr(4) atoms to form SnSr12 cuboctahedra that share corners with four equivalent Sn(2)Sr12 cuboctahedra, corners with eight equivalent Sn(1)Sr12 cuboctahedra,  a faceface with one Sn(2)Sr12 cuboctahedra, faces with five equivalent Sn(1)Sr12 cuboctahedra, and faces with four equivalent N(1)Sr6 octahedra. In the second Sn site, Sn(2) is bonded to four equivalent Sr(2), four equivalent Sr(4), and four equivalent Sr(5) atoms to form SnSr12 cuboctahedra that share corners with four equivalent Sn(1)Sr12 cuboctahedra, corners with eight equivalent Sn(2)Sr12 cuboctahedra,  a faceface with one Sn(1)Sr12 cuboctahedra, faces with five equivalent Sn(2)Sr12 cuboctahedra, faces with four equivalent N(1)Sr6 octahedra, and faces with four equivalent N(2)Sr6 octahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Sr(1), one Sr(2), and four equivalent Sr(4) atoms to form NSr6 octahedra that share  a cornercorner with one N(2)Sr6 octahedra, corners with four equivalent N(1)Sr6 octahedra, faces with four equivalent Sn(1)Sr12 cuboctahedra, and faces with four equivalent Sn(2)Sr12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second N site, N(2) is bonded to two equivalent Sr(2) and four equivalent Sr(5) atoms to form NSr6 octahedra that share corners with two equivalent N(1)Sr6 octahedra, corners with four equivalent N(2)Sr6 octahedra, and faces with eight equivalent Sn(2)Sr12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Sr12Sn4N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.251
_cell_length_b   5.251
_cell_length_c   21.191
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   584.285
_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  0.500  0.500  0.863  1.0
  Sr  Sr1  1  0.500  0.500  0.137  1.0
  Sr  Sr2  1  0.500  0.500  0.378  1.0
  Sr  Sr3  1  0.500  0.500  0.622  1.0
  Sr  Sr4  1  0.500  0.000  0.000  1.0
  Sr  Sr5  1  0.500  0.000  0.255  1.0
  Sr  Sr6  1  0.500  0.000  0.500  1.0
  Sr  Sr7  1  0.500  0.000  0.745  1.0
  Sr  Sr8  1  0.000  0.500  0.000  1.0
  Sr  Sr9  1  0.000  0.500  0.255  1.0
  Sr  Sr10  1  0.000  0.500  0.500  1.0
  Sr  Sr11  1  0.000  0.500  0.745  1.0
  Sn  Sn12  1  0.000  0.000  0.883  1.0
  Sn  Sn13  1  0.000  0.000  0.117  1.0
  Sn  Sn14  1  0.000  0.000  0.375  1.0
  Sn  Sn15  1  0.000  0.000  0.625  1.0
  N  N16  1  0.500  0.500  0.250  1.0
  N  N17  1  0.500  0.500  0.500  1.0
  N  N18  1  0.500  0.500  0.750  1.0
[/CIF]
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The material structure described by Sr12Sn4N3 crystallizes in the tetragonal P4/mmm space group. There are five inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to four equivalent Sn(1) and one N(1) atom. In the second Sr site, Sr(2) is bonded in a linear geometry to four equivalent Sn(2), one N(1), and one N(2) atom. In the third Sr site, Sr(3) is bonded in a distorted square co-planar geometry to four equivalent Sn(1) atoms. In the fourth Sr site, Sr(4) is bonded in a linear geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent N(1) atoms. In the fifth Sr site, Sr(5) is bonded in a linear geometry to four equivalent Sn(2) and two equivalent N(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Sr(1), four equivalent Sr(3), and four equivalent Sr(4) atoms to form SnSr12 cuboctahedra that share corners with four equivalent Sn(2)Sr12 cuboctahedra, corners with eight equivalent Sn(1)Sr12 cuboctahedra,  a faceface with one Sn(2)Sr12 cuboctahedra, faces with five equivalent Sn(1)Sr12 cuboctahedra, and faces with four equivalent N(1)Sr6 octahedra. In the second Sn site, Sn(2) is bonded to four equivalent Sr(2), four equivalent Sr(4), and four equivalent Sr(5) atoms to form SnSr12 cuboctahedra that share corners with four equivalent Sn(1)Sr12 cuboctahedra, corners with eight equivalent Sn(2)Sr12 cuboctahedra,  a faceface with one Sn(1)Sr12 cuboctahedra, faces with five equivalent Sn(2)Sr12 cuboctahedra, faces with four equivalent N(1)Sr6 octahedra, and faces with four equivalent N(2)Sr6 octahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Sr(1), one Sr(2), and four equivalent Sr(4) atoms to form NSr6 octahedra that share  a cornercorner with one N(2)Sr6 octahedra, corners with four equivalent N(1)Sr6 octahedra, faces with four equivalent Sn(1)Sr12 cuboctahedra, and faces with four equivalent Sn(2)Sr12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second N site, N(2) is bonded to two equivalent Sr(2) and four equivalent Sr(5) atoms to form NSr6 octahedra that share corners with two equivalent N(1)Sr6 octahedra, corners with four equivalent N(2)Sr6 octahedra, and faces with eight equivalent Sn(2)Sr12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Sr12Sn4N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.251
_cell_length_b   5.251
_cell_length_c   21.191
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   584.285
_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  0.500  0.500  0.863  1.0
  Sr  Sr1  1  0.500  0.500  0.137  1.0
  Sr  Sr2  1  0.500  0.500  0.378  1.0
  Sr  Sr3  1  0.500  0.500  0.622  1.0
  Sr  Sr4  1  0.500  0.000  0.000  1.0
  Sr  Sr5  1  0.500  0.000  0.255  1.0
  Sr  Sr6  1  0.500  0.000  0.500  1.0
  Sr  Sr7  1  0.500  0.000  0.745  1.0
  Sr  Sr8  1  0.000  0.500  0.000  1.0
  Sr  Sr9  1  0.000  0.500  0.255  1.0
  Sr  Sr10  1  0.000  0.500  0.500  1.0
  Sr  Sr11  1  0.000  0.500  0.745  1.0
  Sn  Sn12  1  0.000  0.000  0.883  1.0
  Sn  Sn13  1  0.000  0.000  0.117  1.0
  Sn  Sn14  1  0.000  0.000  0.375  1.0
  Sn  Sn15  1  0.000  0.000  0.625  1.0
  N  N16  1  0.500  0.500  0.250  1.0
  N  N17  1  0.500  0.500  0.500  1.0
  N  N18  1  0.500  0.500  0.750  1.0
[/CIF]
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