The structure described by Sr2Nb(NO)2 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to four equivalent N(1) and five equivalent O(1) atoms. Nb(1) is bonded to four equivalent N(1) and two equivalent O(1) atoms to form corner-sharing NbN4O2 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to four equivalent Sr(1) and two equivalent Nb(1) atoms to form distorted NSr4Nb2 octahedra that share corners with two equivalent N(1)Sr4Nb2 octahedra, corners with twelve equivalent O(1)Sr5Nb octahedra, edges with two equivalent N(1)Sr4Nb2 octahedra, faces with four equivalent N(1)Sr4Nb2 octahedra, and faces with four equivalent O(1)Sr5Nb octahedra. The corner-sharing octahedral tilt angles range from 0-56°. O(1) is bonded to five equivalent Sr(1) and one Nb(1) atom to form distorted OSr5Nb octahedra that share corners with five equivalent O(1)Sr5Nb octahedra, corners with twelve equivalent N(1)Sr4Nb2 octahedra, edges with eight equivalent O(1)Sr5Nb octahedra, and faces with four equivalent N(1)Sr4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. is represented by the CIF card [CIF]
data_Sr2Nb(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.110
_cell_length_b   7.110
_cell_length_c   7.110
_cell_angle_alpha   146.794
_cell_angle_beta   146.794
_cell_angle_gamma   47.668
_symmetry_Int_Tables_number   1
_cell_volume   107.363
_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  0.352  0.352  0.000  1.0
  Sr  Sr1  1  0.648  0.648  0.000  1.0
  Nb  Nb2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.500  0.000  0.500  1.0
  N  N4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.162  0.162  0.000  1.0
  O  O6  1  0.838  0.838  0.000  1.0
[/CIF]
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The structure described by Sr2Nb(NO)2 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to four equivalent N(1) and five equivalent O(1) atoms. Nb(1) is bonded to four equivalent N(1) and two equivalent O(1) atoms to form corner-sharing NbN4O2 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to four equivalent Sr(1) and two equivalent Nb(1) atoms to form distorted NSr4Nb2 octahedra that share corners with two equivalent N(1)Sr4Nb2 octahedra, corners with twelve equivalent O(1)Sr5Nb octahedra, edges with two equivalent N(1)Sr4Nb2 octahedra, faces with four equivalent N(1)Sr4Nb2 octahedra, and faces with four equivalent O(1)Sr5Nb octahedra. The corner-sharing octahedral tilt angles range from 0-56°. O(1) is bonded to five equivalent Sr(1) and one Nb(1) atom to form distorted OSr5Nb octahedra that share corners with five equivalent O(1)Sr5Nb octahedra, corners with twelve equivalent N(1)Sr4Nb2 octahedra, edges with eight equivalent O(1)Sr5Nb octahedra, and faces with four equivalent N(1)Sr4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. is represented by the CIF card [CIF]
data_Sr2Nb(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.110
_cell_length_b   7.110
_cell_length_c   7.110
_cell_angle_alpha   146.794
_cell_angle_beta   146.794
_cell_angle_gamma   47.668
_symmetry_Int_Tables_number   1
_cell_volume   107.363
_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  0.352  0.352  0.000  1.0
  Sr  Sr1  1  0.648  0.648  0.000  1.0
  Nb  Nb2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.500  0.000  0.500  1.0
  N  N4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.162  0.162  0.000  1.0
  O  O6  1  0.838  0.838  0.000  1.0
[/CIF]
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