The material described by ReN2 is Hausmannite-like structured and crystallizes in the orthorhombic Pnma space group. Re(1) is bonded to three equivalent N(1) and three equivalent N(2) atoms to form ReN6 octahedra that share corners with four equivalent Re(1)N6 octahedra, corners with three equivalent N(1)Re3N tetrahedra, and edges with four equivalent Re(1)N6 octahedra. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent N sites. In the first N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Re(1) and one N(1) atom. In the second N site, N(1) is bonded to three equivalent Re(1) and one N(2) atom to form NRe3N tetrahedra that share corners with three equivalent Re(1)N6 octahedra and corners with six equivalent N(1)Re3N tetrahedra. The corner-sharing octahedral tilt angles range from 38-55°. is represented by the CIF file [CIF]
data_ReN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.865
_cell_length_b   4.154
_cell_length_c   9.600
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   114.277
_cell_formula_units_Z   4
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
  Re  Re0  1  0.750  0.401  0.609  1.0
  Re  Re1  1  0.750  0.099  0.109  1.0
  Re  Re2  1  0.250  0.599  0.391  1.0
  Re  Re3  1  0.250  0.901  0.891  1.0
  N  N4  1  0.250  0.043  0.674  1.0
  N  N5  1  0.250  0.457  0.174  1.0
  N  N6  1  0.750  0.957  0.326  1.0
  N  N7  1  0.750  0.543  0.826  1.0
  N  N8  1  0.250  0.761  0.595  1.0
  N  N9  1  0.250  0.739  0.095  1.0
  N  N10  1  0.750  0.239  0.405  1.0
  N  N11  1  0.750  0.261  0.905  1.0
[/CIF]
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The material described by ReN2 is Hausmannite-like structured and crystallizes in the orthorhombic Pnma space group. Re(1) is bonded to three equivalent N(1) and three equivalent N(2) atoms to form ReN6 octahedra that share corners with four equivalent Re(1)N6 octahedra, corners with three equivalent N(1)Re3N tetrahedra, and edges with four equivalent Re(1)N6 octahedra. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent N sites. In the first N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Re(1) and one N(1) atom. In the second N site, N(1) is bonded to three equivalent Re(1) and one N(2) atom to form NRe3N tetrahedra that share corners with three equivalent Re(1)N6 octahedra and corners with six equivalent N(1)Re3N tetrahedra. The corner-sharing octahedral tilt angles range from 38-55°. is represented by the CIF file [CIF]
data_ReN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.865
_cell_length_b   4.154
_cell_length_c   9.600
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   114.277
_cell_formula_units_Z   4
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
  Re  Re0  1  0.750  0.401  0.609  1.0
  Re  Re1  1  0.750  0.099  0.109  1.0
  Re  Re2  1  0.250  0.599  0.391  1.0
  Re  Re3  1  0.250  0.901  0.891  1.0
  N  N4  1  0.250  0.043  0.674  1.0
  N  N5  1  0.250  0.457  0.174  1.0
  N  N6  1  0.750  0.957  0.326  1.0
  N  N7  1  0.750  0.543  0.826  1.0
  N  N8  1  0.250  0.761  0.595  1.0
  N  N9  1  0.250  0.739  0.095  1.0
  N  N10  1  0.750  0.239  0.405  1.0
  N  N11  1  0.750  0.261  0.905  1.0
[/CIF]
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