The compound described by MgNb4(NO)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one N(3), one N(4), one O(1), one O(3), and two equivalent O(2) atoms. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(4), one O(2), and two equivalent O(1) atoms. In the second Nb site, Nb(2) is bonded to one N(1), one N(2), two equivalent N(3), one O(2), and one O(4) atom to form NbN4O2 octahedra that share corners with two equivalent Nb(2)N4O2 octahedra,  a cornercorner with one Nb(4)N3O3 pentagonal pyramid, edges with two equivalent Nb(3)N4O2 octahedra, and edges with two equivalent Nb(4)N3O3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 30°. In the third Nb site, Nb(3) is bonded to one N(3), one N(4), two equivalent N(2), one O(1), and one O(3) atom to form distorted NbN4O2 octahedra that share corners with two equivalent Nb(3)N4O2 octahedra,  a cornercorner with one Nb(4)N3O3 pentagonal pyramid, edges with two equivalent Nb(2)N4O2 octahedra, and  an edgeedge with one Nb(4)N3O3 pentagonal pyramid. The corner-sharing octahedral tilt angles are 40°. In the fourth Nb site, Nb(4) is bonded to one N(1), one N(3), one N(4), one O(3), and two equivalent O(4) atoms to form distorted NbN3O3 pentagonal pyramids that share  a cornercorner with one Nb(2)N4O2 octahedra,  a cornercorner with one Nb(3)N4O2 octahedra, corners with two equivalent Nb(4)N3O3 pentagonal pyramids,  an edgeedge with one Nb(3)N4O2 octahedra, and edges with two equivalent Nb(2)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 32-41°. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(2), and one Nb(4) atom. In the second N site, N(2) is bonded to one Nb(1), one Nb(2), and two equivalent Nb(3) atoms to form corner-sharing NNb4 trigonal pyramids. In the third N site, N(3) is bonded in a 5-coordinate geometry to one Mg(1), one Nb(3), one Nb(4), and two equivalent Nb(2) atoms. In the fourth N site, N(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Nb(1), one Nb(3), and one Nb(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Nb(3), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1), one Nb(1), and one Nb(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Nb(3), and one Nb(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Nb(2) and two equivalent Nb(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNb4(NO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.946
_cell_length_b   7.218
_cell_length_c   6.704
_cell_angle_alpha   70.152
_cell_angle_beta   90.302
_cell_angle_gamma   66.960
_symmetry_Int_Tables_number   1
_cell_volume   163.151
_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
  Mg  Mg0  1  0.429  0.918  0.976  1.0
  Nb  Nb1  1  0.056  0.782  0.700  1.0
  Nb  Nb2  1  0.165  0.618  0.338  1.0
  Nb  Nb3  1  0.866  0.380  0.671  1.0
  Nb  Nb4  1  0.917  0.217  0.283  1.0
  N  N5  1  0.954  0.908  0.377  1.0
  N  N6  1  0.301  0.477  0.693  1.0
  N  N7  1  0.712  0.549  0.316  1.0
  N  N8  1  0.061  0.109  0.626  1.0
  O  O9  1  0.623  0.709  0.772  1.0
  O  O10  1  0.001  0.820  0.999  1.0
  O  O11  1  0.050  0.194  0.011  1.0
  O  O12  1  0.377  0.317  0.257  1.0
[/CIF]
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The compound described by MgNb4(NO)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one N(3), one N(4), one O(1), one O(3), and two equivalent O(2) atoms. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(4), one O(2), and two equivalent O(1) atoms. In the second Nb site, Nb(2) is bonded to one N(1), one N(2), two equivalent N(3), one O(2), and one O(4) atom to form NbN4O2 octahedra that share corners with two equivalent Nb(2)N4O2 octahedra,  a cornercorner with one Nb(4)N3O3 pentagonal pyramid, edges with two equivalent Nb(3)N4O2 octahedra, and edges with two equivalent Nb(4)N3O3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 30°. In the third Nb site, Nb(3) is bonded to one N(3), one N(4), two equivalent N(2), one O(1), and one O(3) atom to form distorted NbN4O2 octahedra that share corners with two equivalent Nb(3)N4O2 octahedra,  a cornercorner with one Nb(4)N3O3 pentagonal pyramid, edges with two equivalent Nb(2)N4O2 octahedra, and  an edgeedge with one Nb(4)N3O3 pentagonal pyramid. The corner-sharing octahedral tilt angles are 40°. In the fourth Nb site, Nb(4) is bonded to one N(1), one N(3), one N(4), one O(3), and two equivalent O(4) atoms to form distorted NbN3O3 pentagonal pyramids that share  a cornercorner with one Nb(2)N4O2 octahedra,  a cornercorner with one Nb(3)N4O2 octahedra, corners with two equivalent Nb(4)N3O3 pentagonal pyramids,  an edgeedge with one Nb(3)N4O2 octahedra, and edges with two equivalent Nb(2)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 32-41°. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(2), and one Nb(4) atom. In the second N site, N(2) is bonded to one Nb(1), one Nb(2), and two equivalent Nb(3) atoms to form corner-sharing NNb4 trigonal pyramids. In the third N site, N(3) is bonded in a 5-coordinate geometry to one Mg(1), one Nb(3), one Nb(4), and two equivalent Nb(2) atoms. In the fourth N site, N(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Nb(1), one Nb(3), and one Nb(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Nb(3), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1), one Nb(1), and one Nb(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Nb(3), and one Nb(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Nb(2) and two equivalent Nb(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNb4(NO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.946
_cell_length_b   7.218
_cell_length_c   6.704
_cell_angle_alpha   70.152
_cell_angle_beta   90.302
_cell_angle_gamma   66.960
_symmetry_Int_Tables_number   1
_cell_volume   163.151
_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
  Mg  Mg0  1  0.429  0.918  0.976  1.0
  Nb  Nb1  1  0.056  0.782  0.700  1.0
  Nb  Nb2  1  0.165  0.618  0.338  1.0
  Nb  Nb3  1  0.866  0.380  0.671  1.0
  Nb  Nb4  1  0.917  0.217  0.283  1.0
  N  N5  1  0.954  0.908  0.377  1.0
  N  N6  1  0.301  0.477  0.693  1.0
  N  N7  1  0.712  0.549  0.316  1.0
  N  N8  1  0.061  0.109  0.626  1.0
  O  O9  1  0.623  0.709  0.772  1.0
  O  O10  1  0.001  0.820  0.999  1.0
  O  O11  1  0.050  0.194  0.011  1.0
  O  O12  1  0.377  0.317  0.257  1.0
[/CIF]
.