The crystal structure described by Sr3AuN3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(2), one N(3), and three equivalent N(1) atoms to form a mixture of corner and edge-sharing SrN5 square pyramids. In the second Sr site, Sr(2) is bonded to one N(1), one N(3), and three equivalent N(2) atoms to form a mixture of corner and edge-sharing SrN5 square pyramids. In the third Sr site, Sr(3) is bonded to one N(1), one N(2), and three equivalent N(3) atoms to form a mixture of corner and edge-sharing SrN5 square pyramids. Au(1) is bonded in a distorted T-shaped 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(1) is bonded to one Sr(2), one Sr(3), three equivalent Sr(1), and one Au(1) atom to form a mixture of corner and edge-sharing NSr5Au octahedra. The corner-sharing octahedral tilt angles range from 2-18°. In the second N site, N(2) is bonded to one Sr(1), one Sr(3), three equivalent Sr(2), and one Au(1) atom to form a mixture of corner and edge-sharing NSr5Au octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), three equivalent Sr(3), and one Au(1) atom to form a mixture of corner and edge-sharing NSr5Au octahedra. The corner-sharing octahedral tilt angles range from 9-18°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3AuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.048
_cell_length_b   8.368
_cell_length_c   5.369
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.510
_symmetry_Int_Tables_number   1
_cell_volume   269.982
_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  0.901  0.608  0.250  1.0
  Sr  Sr1  1  0.699  0.121  0.250  1.0
  Sr  Sr2  1  0.199  0.137  0.250  1.0
  Sr  Sr3  1  0.099  0.392  0.750  1.0
  Sr  Sr4  1  0.301  0.879  0.750  1.0
  Sr  Sr5  1  0.801  0.863  0.750  1.0
  Au  Au6  1  0.576  0.334  0.750  1.0
  Au  Au7  1  0.424  0.666  0.250  1.0
  N  N8  1  0.880  0.577  0.750  1.0
  N  N9  1  0.712  0.121  0.750  1.0
  N  N10  1  0.232  0.142  0.750  1.0
  N  N11  1  0.120  0.423  0.250  1.0
  N  N12  1  0.288  0.879  0.250  1.0
  N  N13  1  0.768  0.858  0.250  1.0
[/CIF]
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The crystal structure described by Sr3AuN3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(2), one N(3), and three equivalent N(1) atoms to form a mixture of corner and edge-sharing SrN5 square pyramids. In the second Sr site, Sr(2) is bonded to one N(1), one N(3), and three equivalent N(2) atoms to form a mixture of corner and edge-sharing SrN5 square pyramids. In the third Sr site, Sr(3) is bonded to one N(1), one N(2), and three equivalent N(3) atoms to form a mixture of corner and edge-sharing SrN5 square pyramids. Au(1) is bonded in a distorted T-shaped 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(1) is bonded to one Sr(2), one Sr(3), three equivalent Sr(1), and one Au(1) atom to form a mixture of corner and edge-sharing NSr5Au octahedra. The corner-sharing octahedral tilt angles range from 2-18°. In the second N site, N(2) is bonded to one Sr(1), one Sr(3), three equivalent Sr(2), and one Au(1) atom to form a mixture of corner and edge-sharing NSr5Au octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), three equivalent Sr(3), and one Au(1) atom to form a mixture of corner and edge-sharing NSr5Au octahedra. The corner-sharing octahedral tilt angles range from 9-18°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3AuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.048
_cell_length_b   8.368
_cell_length_c   5.369
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.510
_symmetry_Int_Tables_number   1
_cell_volume   269.982
_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  0.901  0.608  0.250  1.0
  Sr  Sr1  1  0.699  0.121  0.250  1.0
  Sr  Sr2  1  0.199  0.137  0.250  1.0
  Sr  Sr3  1  0.099  0.392  0.750  1.0
  Sr  Sr4  1  0.301  0.879  0.750  1.0
  Sr  Sr5  1  0.801  0.863  0.750  1.0
  Au  Au6  1  0.576  0.334  0.750  1.0
  Au  Au7  1  0.424  0.666  0.250  1.0
  N  N8  1  0.880  0.577  0.750  1.0
  N  N9  1  0.712  0.121  0.750  1.0
  N  N10  1  0.232  0.142  0.750  1.0
  N  N11  1  0.120  0.423  0.250  1.0
  N  N12  1  0.288  0.879  0.250  1.0
  N  N13  1  0.768  0.858  0.250  1.0
[/CIF]
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