The material described by Na5OsN4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted NaN4 tetrahedra that share corners with two equivalent Na(2)N4 tetrahedra, corners with two equivalent Os(1)N4 tetrahedra, corners with eight equivalent Na(1)N4 tetrahedra,  an edgeedge with one Na(2)N4 tetrahedra,  an edgeedge with one Os(1)N4 tetrahedra, and edges with two equivalent Na(1)N4 tetrahedra. In the second Na site, Na(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form NaN4 tetrahedra that share corners with four equivalent Os(1)N4 tetrahedra, corners with eight equivalent Na(1)N4 tetrahedra, and edges with four equivalent Na(1)N4 tetrahedra. Os(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form OsN4 tetrahedra that share corners with four equivalent Na(2)N4 tetrahedra, corners with eight equivalent Na(1)N4 tetrahedra, and edges with four equivalent Na(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Na(2), four equivalent Na(1), and one Os(1) atom. In the second N site, N(2) is bonded to one Na(2), four equivalent Na(1), and one Os(1) atom to form a mixture of distorted edge and corner-sharing NNa5Os octahedra. The corner-sharing octahedral tilt angles range from 53-68°. is represented by the CIF card [CIF]
data_Na5OsN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.755
_cell_length_b   7.305
_cell_length_c   7.743
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   325.486
_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  0.762  0.237  0.310  1.0
  Na  Na1  1  0.762  0.237  0.690  1.0
  Na  Na2  1  0.762  0.763  0.310  1.0
  Na  Na3  1  0.762  0.763  0.690  1.0
  Na  Na4  1  0.238  0.263  0.190  1.0
  Na  Na5  1  0.238  0.263  0.810  1.0
  Na  Na6  1  0.238  0.737  0.190  1.0
  Na  Na7  1  0.238  0.737  0.810  1.0
  Na  Na8  1  0.333  0.500  0.500  1.0
  Na  Na9  1  0.667  0.000  0.000  1.0
  Os  Os10  1  0.287  0.000  0.500  1.0
  Os  Os11  1  0.713  0.500  0.000  1.0
  N  N12  1  0.106  0.791  0.500  1.0
  N  N13  1  0.106  0.209  0.500  1.0
  N  N14  1  0.894  0.709  0.000  1.0
  N  N15  1  0.894  0.291  0.000  1.0
  N  N16  1  0.535  0.500  0.198  1.0
  N  N17  1  0.535  0.500  0.802  1.0
  N  N18  1  0.465  0.000  0.302  1.0
  N  N19  1  0.465  0.000  0.698  1.0
[/CIF]
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The material described by Na5OsN4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted NaN4 tetrahedra that share corners with two equivalent Na(2)N4 tetrahedra, corners with two equivalent Os(1)N4 tetrahedra, corners with eight equivalent Na(1)N4 tetrahedra,  an edgeedge with one Na(2)N4 tetrahedra,  an edgeedge with one Os(1)N4 tetrahedra, and edges with two equivalent Na(1)N4 tetrahedra. In the second Na site, Na(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form NaN4 tetrahedra that share corners with four equivalent Os(1)N4 tetrahedra, corners with eight equivalent Na(1)N4 tetrahedra, and edges with four equivalent Na(1)N4 tetrahedra. Os(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form OsN4 tetrahedra that share corners with four equivalent Na(2)N4 tetrahedra, corners with eight equivalent Na(1)N4 tetrahedra, and edges with four equivalent Na(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Na(2), four equivalent Na(1), and one Os(1) atom. In the second N site, N(2) is bonded to one Na(2), four equivalent Na(1), and one Os(1) atom to form a mixture of distorted edge and corner-sharing NNa5Os octahedra. The corner-sharing octahedral tilt angles range from 53-68°. is represented by the CIF card [CIF]
data_Na5OsN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.755
_cell_length_b   7.305
_cell_length_c   7.743
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   325.486
_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  0.762  0.237  0.310  1.0
  Na  Na1  1  0.762  0.237  0.690  1.0
  Na  Na2  1  0.762  0.763  0.310  1.0
  Na  Na3  1  0.762  0.763  0.690  1.0
  Na  Na4  1  0.238  0.263  0.190  1.0
  Na  Na5  1  0.238  0.263  0.810  1.0
  Na  Na6  1  0.238  0.737  0.190  1.0
  Na  Na7  1  0.238  0.737  0.810  1.0
  Na  Na8  1  0.333  0.500  0.500  1.0
  Na  Na9  1  0.667  0.000  0.000  1.0
  Os  Os10  1  0.287  0.000  0.500  1.0
  Os  Os11  1  0.713  0.500  0.000  1.0
  N  N12  1  0.106  0.791  0.500  1.0
  N  N13  1  0.106  0.209  0.500  1.0
  N  N14  1  0.894  0.709  0.000  1.0
  N  N15  1  0.894  0.291  0.000  1.0
  N  N16  1  0.535  0.500  0.198  1.0
  N  N17  1  0.535  0.500  0.802  1.0
  N  N18  1  0.465  0.000  0.302  1.0
  N  N19  1  0.465  0.000  0.698  1.0
[/CIF]
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