The compound described by Sb3N5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing SbN6 octahedra. The corner-sharing octahedral tilt angles range from 31-44°. In the second Sb site, Sb(2) is bonded to one N(1), two equivalent N(2), and three equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing SbN6 octahedra. The corner-sharing octahedral tilt angles range from 31-59°. There are three inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Sb(1) and two equivalent Sb(2) atoms to form a mixture of distorted corner and edge-sharing NSb4 tetrahedra. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one Sb(1) and two equivalent Sb(2) atoms. In the third N site, N(3) is bonded to one Sb(1) and three equivalent Sb(2) atoms to form a mixture of distorted corner and edge-sharing NSb4 trigonal pyramids. is represented by the CIF card [CIF]
data_Sb3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.992
_cell_length_b   5.632
_cell_length_c   10.358
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.755
_symmetry_Int_Tables_number   1
_cell_volume   217.755
_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
  N  N0  1  0.240  0.481  0.250  1.0
  N  N1  1  0.760  0.519  0.750  1.0
  N  N2  1  0.950  0.900  0.387  1.0
  N  N3  1  0.050  0.100  0.613  1.0
  N  N4  1  0.950  0.900  0.113  1.0
  N  N5  1  0.050  0.100  0.887  1.0
  N  N6  1  0.697  0.394  0.426  1.0
  N  N7  1  0.303  0.606  0.574  1.0
  N  N8  1  0.697  0.394  0.074  1.0
  N  N9  1  0.303  0.606  0.926  1.0
  Sb  Sb10  1  0.817  0.633  0.250  1.0
  Sb  Sb11  1  0.183  0.367  0.750  1.0
  Sb  Sb12  1  0.136  0.272  0.436  1.0
  Sb  Sb13  1  0.864  0.728  0.564  1.0
  Sb  Sb14  1  0.136  0.272  0.064  1.0
  Sb  Sb15  1  0.864  0.728  0.936  1.0
[/CIF]
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The compound described by Sb3N5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing SbN6 octahedra. The corner-sharing octahedral tilt angles range from 31-44°. In the second Sb site, Sb(2) is bonded to one N(1), two equivalent N(2), and three equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing SbN6 octahedra. The corner-sharing octahedral tilt angles range from 31-59°. There are three inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Sb(1) and two equivalent Sb(2) atoms to form a mixture of distorted corner and edge-sharing NSb4 tetrahedra. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one Sb(1) and two equivalent Sb(2) atoms. In the third N site, N(3) is bonded to one Sb(1) and three equivalent Sb(2) atoms to form a mixture of distorted corner and edge-sharing NSb4 trigonal pyramids. is represented by the CIF card [CIF]
data_Sb3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.992
_cell_length_b   5.632
_cell_length_c   10.358
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.755
_symmetry_Int_Tables_number   1
_cell_volume   217.755
_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
  N  N0  1  0.240  0.481  0.250  1.0
  N  N1  1  0.760  0.519  0.750  1.0
  N  N2  1  0.950  0.900  0.387  1.0
  N  N3  1  0.050  0.100  0.613  1.0
  N  N4  1  0.950  0.900  0.113  1.0
  N  N5  1  0.050  0.100  0.887  1.0
  N  N6  1  0.697  0.394  0.426  1.0
  N  N7  1  0.303  0.606  0.574  1.0
  N  N8  1  0.697  0.394  0.074  1.0
  N  N9  1  0.303  0.606  0.926  1.0
  Sb  Sb10  1  0.817  0.633  0.250  1.0
  Sb  Sb11  1  0.183  0.367  0.750  1.0
  Sb  Sb12  1  0.136  0.272  0.436  1.0
  Sb  Sb13  1  0.864  0.728  0.564  1.0
  Sb  Sb14  1  0.136  0.272  0.064  1.0
  Sb  Sb15  1  0.864  0.728  0.936  1.0
[/CIF]
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