The material described by Na4Mo(NO)2 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted NaO4 tetrahedra that share corners with two equivalent Na(2)N4O square pyramids, corners with two equivalent Na(3)N4O square pyramids, corners with four equivalent Na(4)N2O2 tetrahedra, corners with four equivalent Mo(1)N2O2 tetrahedra, and edges with two equivalent Na(1)O4 tetrahedra. In the second Na site, Na(2) is bonded to two equivalent N(1), two equivalent N(2), and one O(1) atom to form distorted NaN4O square pyramids that share corners with three equivalent Na(3)N4O square pyramids,  a cornercorner with one Mo(1)N2O2 tetrahedra, corners with two equivalent Na(1)O4 tetrahedra, corners with three equivalent Na(4)N2O2 tetrahedra, edges with two equivalent Na(2)N4O square pyramids, edges with three equivalent Na(3)N4O square pyramids,  an edgeedge with one Na(4)N2O2 tetrahedra, and edges with two equivalent Mo(1)N2O2 tetrahedra. In the third Na site, Na(3) is bonded to two equivalent N(1), two equivalent N(2), and one O(1) atom to form distorted NaN4O square pyramids that share corners with three equivalent Na(2)N4O square pyramids,  a cornercorner with one Na(4)N2O2 tetrahedra, corners with two equivalent Na(1)O4 tetrahedra, corners with three equivalent Mo(1)N2O2 tetrahedra, edges with two equivalent Na(3)N4O square pyramids, edges with three equivalent Na(2)N4O square pyramids,  an edgeedge with one Mo(1)N2O2 tetrahedra, and edges with two equivalent Na(4)N2O2 tetrahedra. In the fourth Na site, Na(4) is bonded to one N(1), one N(2), one O(1), and one O(2) atom to form distorted NaN2O2 tetrahedra that share  a cornercorner with one Na(3)N4O square pyramid, corners with three equivalent Na(2)N4O square pyramids, corners with four equivalent Na(1)O4 tetrahedra, corners with four equivalent Mo(1)N2O2 tetrahedra,  an edgeedge with one Na(2)N4O square pyramid, and edges with two equivalent Na(3)N4O square pyramids. Mo(1) is bonded to one N(1), one N(2), one O(1), and one O(2) atom to form MoN2O2 tetrahedra that share  a cornercorner with one Na(2)N4O square pyramid, corners with three equivalent Na(3)N4O square pyramids, corners with four equivalent Na(4)N2O2 tetrahedra, corners with four equivalent Na(1)O4 tetrahedra,  an edgeedge with one Na(3)N4O square pyramid, and edges with two equivalent Na(2)N4O square pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Na(4), two equivalent Na(2), two equivalent Na(3), and one Mo(1) atom to form distorted NNa5Mo octahedra that share corners with two equivalent N(2)Na5Mo octahedra, corners with two equivalent O(1)Na5Mo octahedra, corners with two equivalent O(2)Na3Mo tetrahedra, edges with two equivalent N(1)Na5Mo octahedra, edges with two equivalent O(1)Na5Mo octahedra, and edges with four equivalent N(2)Na5Mo octahedra. The corner-sharing octahedral tilt angles range from 13-34°. In the second N site, N(2) is bonded to one Na(4), two equivalent Na(2), two equivalent Na(3), and one Mo(1) atom to form distorted NNa5Mo octahedra that share corners with two equivalent N(1)Na5Mo octahedra, corners with two equivalent O(2)Na3Mo tetrahedra, edges with two equivalent N(2)Na5Mo octahedra, edges with three equivalent O(1)Na5Mo octahedra, and edges with four equivalent N(1)Na5Mo octahedra. The corner-sharing octahedral tilt angles range from 17-34°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), one Na(3), one Na(4), two equivalent Na(1), and one Mo(1) atom to form distorted ONa5Mo octahedra that share corners with two equivalent N(1)Na5Mo octahedra, corners with six equivalent O(2)Na3Mo tetrahedra,  an edgeedge with one O(1)Na5Mo octahedra, edges with two equivalent N(1)Na5Mo octahedra, and edges with three equivalent N(2)Na5Mo octahedra. The corner-sharing octahedral tilt angles range from 13-14°. In the second O site, O(2) is bonded to one Na(4), two equivalent Na(1), and one Mo(1) atom to form ONa3Mo tetrahedra that share corners with two equivalent N(1)Na5Mo octahedra, corners with two equivalent N(2)Na5Mo octahedra, corners with six equivalent O(1)Na5Mo octahedra, and  an edgeedge with one O(2)Na3Mo tetrahedra. The corner-sharing octahedral tilt angles range from 55-69°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Mo(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   5.951
_cell_length_c   8.985
_cell_angle_alpha   82.813
_cell_angle_beta   71.516
_cell_angle_gamma   68.882
_symmetry_Int_Tables_number   1
_cell_volume   279.915
_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
  Na  Na0  1  0.240  0.762  0.985  1.0
  Na  Na1  1  0.760  0.238  0.015  1.0
  Na  Na2  1  0.056  0.758  0.402  1.0
  Na  Na3  1  0.944  0.242  0.598  1.0
  Na  Na4  1  0.479  0.740  0.557  1.0
  Na  Na5  1  0.521  0.260  0.443  1.0
  Na  Na6  1  0.613  0.724  0.184  1.0
  Na  Na7  1  0.387  0.276  0.816  1.0
  Mo  Mo8  1  0.842  0.720  0.762  1.0
  Mo  Mo9  1  0.158  0.280  0.238  1.0
  N  N10  1  0.295  0.038  0.362  1.0
  N  N11  1  0.157  0.543  0.646  1.0
  N  N12  1  0.843  0.457  0.354  1.0
  N  N13  1  0.705  0.962  0.638  1.0
  O  O14  1  0.640  0.516  0.814  1.0
  O  O15  1  0.150  0.156  0.055  1.0
  O  O16  1  0.360  0.484  0.186  1.0
  O  O17  1  0.850  0.844  0.945  1.0
[/CIF]
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The material described by Na4Mo(NO)2 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted NaO4 tetrahedra that share corners with two equivalent Na(2)N4O square pyramids, corners with two equivalent Na(3)N4O square pyramids, corners with four equivalent Na(4)N2O2 tetrahedra, corners with four equivalent Mo(1)N2O2 tetrahedra, and edges with two equivalent Na(1)O4 tetrahedra. In the second Na site, Na(2) is bonded to two equivalent N(1), two equivalent N(2), and one O(1) atom to form distorted NaN4O square pyramids that share corners with three equivalent Na(3)N4O square pyramids,  a cornercorner with one Mo(1)N2O2 tetrahedra, corners with two equivalent Na(1)O4 tetrahedra, corners with three equivalent Na(4)N2O2 tetrahedra, edges with two equivalent Na(2)N4O square pyramids, edges with three equivalent Na(3)N4O square pyramids,  an edgeedge with one Na(4)N2O2 tetrahedra, and edges with two equivalent Mo(1)N2O2 tetrahedra. In the third Na site, Na(3) is bonded to two equivalent N(1), two equivalent N(2), and one O(1) atom to form distorted NaN4O square pyramids that share corners with three equivalent Na(2)N4O square pyramids,  a cornercorner with one Na(4)N2O2 tetrahedra, corners with two equivalent Na(1)O4 tetrahedra, corners with three equivalent Mo(1)N2O2 tetrahedra, edges with two equivalent Na(3)N4O square pyramids, edges with three equivalent Na(2)N4O square pyramids,  an edgeedge with one Mo(1)N2O2 tetrahedra, and edges with two equivalent Na(4)N2O2 tetrahedra. In the fourth Na site, Na(4) is bonded to one N(1), one N(2), one O(1), and one O(2) atom to form distorted NaN2O2 tetrahedra that share  a cornercorner with one Na(3)N4O square pyramid, corners with three equivalent Na(2)N4O square pyramids, corners with four equivalent Na(1)O4 tetrahedra, corners with four equivalent Mo(1)N2O2 tetrahedra,  an edgeedge with one Na(2)N4O square pyramid, and edges with two equivalent Na(3)N4O square pyramids. Mo(1) is bonded to one N(1), one N(2), one O(1), and one O(2) atom to form MoN2O2 tetrahedra that share  a cornercorner with one Na(2)N4O square pyramid, corners with three equivalent Na(3)N4O square pyramids, corners with four equivalent Na(4)N2O2 tetrahedra, corners with four equivalent Na(1)O4 tetrahedra,  an edgeedge with one Na(3)N4O square pyramid, and edges with two equivalent Na(2)N4O square pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Na(4), two equivalent Na(2), two equivalent Na(3), and one Mo(1) atom to form distorted NNa5Mo octahedra that share corners with two equivalent N(2)Na5Mo octahedra, corners with two equivalent O(1)Na5Mo octahedra, corners with two equivalent O(2)Na3Mo tetrahedra, edges with two equivalent N(1)Na5Mo octahedra, edges with two equivalent O(1)Na5Mo octahedra, and edges with four equivalent N(2)Na5Mo octahedra. The corner-sharing octahedral tilt angles range from 13-34°. In the second N site, N(2) is bonded to one Na(4), two equivalent Na(2), two equivalent Na(3), and one Mo(1) atom to form distorted NNa5Mo octahedra that share corners with two equivalent N(1)Na5Mo octahedra, corners with two equivalent O(2)Na3Mo tetrahedra, edges with two equivalent N(2)Na5Mo octahedra, edges with three equivalent O(1)Na5Mo octahedra, and edges with four equivalent N(1)Na5Mo octahedra. The corner-sharing octahedral tilt angles range from 17-34°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), one Na(3), one Na(4), two equivalent Na(1), and one Mo(1) atom to form distorted ONa5Mo octahedra that share corners with two equivalent N(1)Na5Mo octahedra, corners with six equivalent O(2)Na3Mo tetrahedra,  an edgeedge with one O(1)Na5Mo octahedra, edges with two equivalent N(1)Na5Mo octahedra, and edges with three equivalent N(2)Na5Mo octahedra. The corner-sharing octahedral tilt angles range from 13-14°. In the second O site, O(2) is bonded to one Na(4), two equivalent Na(1), and one Mo(1) atom to form ONa3Mo tetrahedra that share corners with two equivalent N(1)Na5Mo octahedra, corners with two equivalent N(2)Na5Mo octahedra, corners with six equivalent O(1)Na5Mo octahedra, and  an edgeedge with one O(2)Na3Mo tetrahedra. The corner-sharing octahedral tilt angles range from 55-69°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Mo(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   5.951
_cell_length_c   8.985
_cell_angle_alpha   82.813
_cell_angle_beta   71.516
_cell_angle_gamma   68.882
_symmetry_Int_Tables_number   1
_cell_volume   279.915
_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
  Na  Na0  1  0.240  0.762  0.985  1.0
  Na  Na1  1  0.760  0.238  0.015  1.0
  Na  Na2  1  0.056  0.758  0.402  1.0
  Na  Na3  1  0.944  0.242  0.598  1.0
  Na  Na4  1  0.479  0.740  0.557  1.0
  Na  Na5  1  0.521  0.260  0.443  1.0
  Na  Na6  1  0.613  0.724  0.184  1.0
  Na  Na7  1  0.387  0.276  0.816  1.0
  Mo  Mo8  1  0.842  0.720  0.762  1.0
  Mo  Mo9  1  0.158  0.280  0.238  1.0
  N  N10  1  0.295  0.038  0.362  1.0
  N  N11  1  0.157  0.543  0.646  1.0
  N  N12  1  0.843  0.457  0.354  1.0
  N  N13  1  0.705  0.962  0.638  1.0
  O  O14  1  0.640  0.516  0.814  1.0
  O  O15  1  0.150  0.156  0.055  1.0
  O  O16  1  0.360  0.484  0.186  1.0
  O  O17  1  0.850  0.844  0.945  1.0
[/CIF]
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