The compound described by Sr5(SnN3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Sn(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form edge-sharing SnN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(2) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing NSr5Sn octahedra. The corner-sharing octahedral tilt angles range from 22-61°. In the second N site, N(3) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent Sn(1) atoms. In the third N site, N(1) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Sn(1) atom to form a mixture of distorted face, corner, and edge-sharing NSr5Sn octahedra. The corner-sharing octahedral tilt angles range from 22-61°. is represented by the CIF file [CIF]
data_Sr5(SnN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.457
_cell_length_b   6.905
_cell_length_c   13.899
_cell_angle_alpha   90.000
_cell_angle_beta   98.391
_cell_angle_gamma   122.321
_symmetry_Int_Tables_number   1
_cell_volume   515.865
_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  0.089  0.773  0.999  1.0
  Sr  Sr1  1  0.911  0.684  0.501  1.0
  Sr  Sr2  1  0.911  0.227  0.001  1.0
  Sr  Sr3  1  0.089  0.316  0.499  1.0
  Sr  Sr4  1  0.314  0.046  0.717  1.0
  Sr  Sr5  1  0.686  0.732  0.783  1.0
  Sr  Sr6  1  0.686  0.954  0.283  1.0
  Sr  Sr7  1  0.314  0.268  0.217  1.0
  Sr  Sr8  1  0.000  0.368  0.750  1.0
  Sr  Sr9  1  0.000  0.632  0.250  1.0
  Sn  Sn10  1  0.562  0.883  0.574  1.0
  Sn  Sn11  1  0.438  0.321  0.926  1.0
  Sn  Sn12  1  0.438  0.117  0.426  1.0
  Sn  Sn13  1  0.562  0.679  0.074  1.0
  N  N14  1  0.918  0.968  0.625  1.0
  N  N15  1  0.082  0.049  0.875  1.0
  N  N16  1  0.082  0.032  0.375  1.0
  N  N17  1  0.918  0.951  0.125  1.0
  N  N18  1  0.289  0.671  0.654  1.0
  N  N19  1  0.711  0.382  0.846  1.0
  N  N20  1  0.711  0.329  0.346  1.0
  N  N21  1  0.289  0.618  0.154  1.0
  N  N22  1  0.611  0.225  0.576  1.0
  N  N23  1  0.389  0.613  0.924  1.0
  N  N24  1  0.389  0.775  0.424  1.0
  N  N25  1  0.611  0.387  0.076  1.0
[/CIF]
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The compound described by Sr5(SnN3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Sn(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form edge-sharing SnN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(2) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing NSr5Sn octahedra. The corner-sharing octahedral tilt angles range from 22-61°. In the second N site, N(3) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent Sn(1) atoms. In the third N site, N(1) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Sn(1) atom to form a mixture of distorted face, corner, and edge-sharing NSr5Sn octahedra. The corner-sharing octahedral tilt angles range from 22-61°. is represented by the CIF file [CIF]
data_Sr5(SnN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.457
_cell_length_b   6.905
_cell_length_c   13.899
_cell_angle_alpha   90.000
_cell_angle_beta   98.391
_cell_angle_gamma   122.321
_symmetry_Int_Tables_number   1
_cell_volume   515.865
_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  0.089  0.773  0.999  1.0
  Sr  Sr1  1  0.911  0.684  0.501  1.0
  Sr  Sr2  1  0.911  0.227  0.001  1.0
  Sr  Sr3  1  0.089  0.316  0.499  1.0
  Sr  Sr4  1  0.314  0.046  0.717  1.0
  Sr  Sr5  1  0.686  0.732  0.783  1.0
  Sr  Sr6  1  0.686  0.954  0.283  1.0
  Sr  Sr7  1  0.314  0.268  0.217  1.0
  Sr  Sr8  1  0.000  0.368  0.750  1.0
  Sr  Sr9  1  0.000  0.632  0.250  1.0
  Sn  Sn10  1  0.562  0.883  0.574  1.0
  Sn  Sn11  1  0.438  0.321  0.926  1.0
  Sn  Sn12  1  0.438  0.117  0.426  1.0
  Sn  Sn13  1  0.562  0.679  0.074  1.0
  N  N14  1  0.918  0.968  0.625  1.0
  N  N15  1  0.082  0.049  0.875  1.0
  N  N16  1  0.082  0.032  0.375  1.0
  N  N17  1  0.918  0.951  0.125  1.0
  N  N18  1  0.289  0.671  0.654  1.0
  N  N19  1  0.711  0.382  0.846  1.0
  N  N20  1  0.711  0.329  0.346  1.0
  N  N21  1  0.289  0.618  0.154  1.0
  N  N22  1  0.611  0.225  0.576  1.0
  N  N23  1  0.389  0.613  0.924  1.0
  N  N24  1  0.389  0.775  0.424  1.0
  N  N25  1  0.611  0.387  0.076  1.0
[/CIF]
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