The material described by Na4ReN3 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one N(1), one N(2), and two equivalent N(3) atoms. In the second Na site, Na(2) is bonded in a trigonal non-coplanar geometry to one N(1), one N(2), and one N(3) atom. In the third Na site, Na(3) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing NaN4 trigonal pyramids. In the fourth Na site, Na(4) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing NaN4 trigonal pyramids. Re(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(4), two equivalent Na(3), and one Re(1) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), two equivalent Na(4), and one Re(1) atom. In the third N site, N(3) is bonded to one Na(2), one Na(3), one Na(4), two equivalent Na(1), and one Re(1) atom to form distorted corner-sharing NNa5Re octahedra. The corner-sharing octahedral tilt angles are 56°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4ReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.015
_cell_length_b   6.211
_cell_length_c   8.711
_cell_angle_alpha   69.965
_cell_angle_beta   69.802
_cell_angle_gamma   61.037
_symmetry_Int_Tables_number   1
_cell_volume   261.101
_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  0.001  0.239  0.136  1.0
  Na  Na1  1  0.796  0.240  0.527  1.0
  Na  Na2  1  0.257  0.753  0.457  1.0
  Na  Na3  1  0.533  0.253  0.957  1.0
  Na  Na4  1  0.039  0.730  0.861  1.0
  Na  Na5  1  0.369  0.230  0.361  1.0
  Na  Na6  1  0.437  0.740  0.027  1.0
  Na  Na7  1  0.624  0.739  0.636  1.0
  Re  Re8  1  0.137  0.272  0.749  1.0
  Re  Re9  1  0.842  0.772  0.249  1.0
  N  N10  1  0.379  0.393  0.689  1.0
  N  N11  1  0.539  0.893  0.189  1.0
  N  N12  1  0.170  0.046  0.645  1.0
  N  N13  1  0.139  0.546  0.145  1.0
  N  N14  1  0.827  0.454  0.868  1.0
  N  N15  1  0.851  0.954  0.368  1.0
[/CIF]
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The material described by Na4ReN3 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one N(1), one N(2), and two equivalent N(3) atoms. In the second Na site, Na(2) is bonded in a trigonal non-coplanar geometry to one N(1), one N(2), and one N(3) atom. In the third Na site, Na(3) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing NaN4 trigonal pyramids. In the fourth Na site, Na(4) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing NaN4 trigonal pyramids. Re(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(4), two equivalent Na(3), and one Re(1) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), two equivalent Na(4), and one Re(1) atom. In the third N site, N(3) is bonded to one Na(2), one Na(3), one Na(4), two equivalent Na(1), and one Re(1) atom to form distorted corner-sharing NNa5Re octahedra. The corner-sharing octahedral tilt angles are 56°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4ReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.015
_cell_length_b   6.211
_cell_length_c   8.711
_cell_angle_alpha   69.965
_cell_angle_beta   69.802
_cell_angle_gamma   61.037
_symmetry_Int_Tables_number   1
_cell_volume   261.101
_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  0.001  0.239  0.136  1.0
  Na  Na1  1  0.796  0.240  0.527  1.0
  Na  Na2  1  0.257  0.753  0.457  1.0
  Na  Na3  1  0.533  0.253  0.957  1.0
  Na  Na4  1  0.039  0.730  0.861  1.0
  Na  Na5  1  0.369  0.230  0.361  1.0
  Na  Na6  1  0.437  0.740  0.027  1.0
  Na  Na7  1  0.624  0.739  0.636  1.0
  Re  Re8  1  0.137  0.272  0.749  1.0
  Re  Re9  1  0.842  0.772  0.249  1.0
  N  N10  1  0.379  0.393  0.689  1.0
  N  N11  1  0.539  0.893  0.189  1.0
  N  N12  1  0.170  0.046  0.645  1.0
  N  N13  1  0.139  0.546  0.145  1.0
  N  N14  1  0.827  0.454  0.868  1.0
  N  N15  1  0.851  0.954  0.368  1.0
[/CIF]
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