The crystal structure described by Sr5(PtN3)2 is Krennerite-derived structured and 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. Pt(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. 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 Pt(1) atom to form a mixture of distorted corner and edge-sharing NSr5Pt octahedra. The corner-sharing octahedral tilt angles range from 14-74°. In the second N site, N(3) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and one Pt(1) atom. In the third N site, N(1) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Pt(1) atom to form a mixture of distorted corner, edge, and face-sharing NSr5Pt octahedra. The corner-sharing octahedral tilt angles range from 14-74°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5(PtN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.419
_cell_length_b   7.361
_cell_length_c   12.791
_cell_angle_alpha   90.000
_cell_angle_beta   102.023
_cell_angle_gamma   124.982
_symmetry_Int_Tables_number   1
_cell_volume   478.912
_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  0.124  0.807  0.000  1.0
  Sr  Sr1  1  0.876  0.683  0.500  1.0
  Sr  Sr2  1  0.876  0.193  1.000  1.0
  Sr  Sr3  1  0.124  0.317  0.500  1.0
  Sr  Sr4  1  0.328  0.048  0.725  1.0
  Sr  Sr5  1  0.672  0.720  0.775  1.0
  Sr  Sr6  1  0.672  0.952  0.275  1.0
  Sr  Sr7  1  0.328  0.280  0.225  1.0
  Sr  Sr8  1  0.000  0.387  0.750  1.0
  Sr  Sr9  1  0.000  0.613  0.250  1.0
  Pt  Pt10  1  0.530  0.824  0.547  1.0
  Pt  Pt11  1  0.470  0.294  0.953  1.0
  Pt  Pt12  1  0.470  0.176  0.453  1.0
  Pt  Pt13  1  0.530  0.706  0.047  1.0
  N  N14  1  0.896  0.002  0.625  1.0
  N  N15  1  0.104  0.105  0.875  1.0
  N  N16  1  0.104  0.998  0.375  1.0
  N  N17  1  0.896  0.895  0.125  1.0
  N  N18  1  0.270  0.685  0.632  1.0
  N  N19  1  0.730  0.415  0.868  1.0
  N  N20  1  0.730  0.315  0.368  1.0
  N  N21  1  0.270  0.585  0.132  1.0
  N  N22  1  0.575  0.315  0.599  1.0
  N  N23  1  0.425  0.740  0.901  1.0
  N  N24  1  0.425  0.685  0.401  1.0
  N  N25  1  0.575  0.260  0.099  1.0
[/CIF]
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The crystal structure described by Sr5(PtN3)2 is Krennerite-derived structured and 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. Pt(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. 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 Pt(1) atom to form a mixture of distorted corner and edge-sharing NSr5Pt octahedra. The corner-sharing octahedral tilt angles range from 14-74°. In the second N site, N(3) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and one Pt(1) atom. In the third N site, N(1) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Pt(1) atom to form a mixture of distorted corner, edge, and face-sharing NSr5Pt octahedra. The corner-sharing octahedral tilt angles range from 14-74°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5(PtN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.419
_cell_length_b   7.361
_cell_length_c   12.791
_cell_angle_alpha   90.000
_cell_angle_beta   102.023
_cell_angle_gamma   124.982
_symmetry_Int_Tables_number   1
_cell_volume   478.912
_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  0.124  0.807  0.000  1.0
  Sr  Sr1  1  0.876  0.683  0.500  1.0
  Sr  Sr2  1  0.876  0.193  1.000  1.0
  Sr  Sr3  1  0.124  0.317  0.500  1.0
  Sr  Sr4  1  0.328  0.048  0.725  1.0
  Sr  Sr5  1  0.672  0.720  0.775  1.0
  Sr  Sr6  1  0.672  0.952  0.275  1.0
  Sr  Sr7  1  0.328  0.280  0.225  1.0
  Sr  Sr8  1  0.000  0.387  0.750  1.0
  Sr  Sr9  1  0.000  0.613  0.250  1.0
  Pt  Pt10  1  0.530  0.824  0.547  1.0
  Pt  Pt11  1  0.470  0.294  0.953  1.0
  Pt  Pt12  1  0.470  0.176  0.453  1.0
  Pt  Pt13  1  0.530  0.706  0.047  1.0
  N  N14  1  0.896  0.002  0.625  1.0
  N  N15  1  0.104  0.105  0.875  1.0
  N  N16  1  0.104  0.998  0.375  1.0
  N  N17  1  0.896  0.895  0.125  1.0
  N  N18  1  0.270  0.685  0.632  1.0
  N  N19  1  0.730  0.415  0.868  1.0
  N  N20  1  0.730  0.315  0.368  1.0
  N  N21  1  0.270  0.585  0.132  1.0
  N  N22  1  0.575  0.315  0.599  1.0
  N  N23  1  0.425  0.740  0.901  1.0
  N  N24  1  0.425  0.685  0.401  1.0
  N  N25  1  0.575  0.260  0.099  1.0
[/CIF]
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