The crystal structure described by Ba3ReN3 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing BaN5 trigonal bipyramids. Re(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to five equivalent Ba(1) and one Re(1) atom to form a mixture of distorted edge and corner-sharing NBa5Re octahedra. The corner-sharing octahedral tilt angles range from 23-40°. is represented by the CIF file [CIF]
data_Ba3ReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.250
_cell_length_b   8.251
_cell_length_c   5.760
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   339.572
_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
  Ba  Ba0  1  0.900  0.641  0.250  1.0
  Ba  Ba1  1  0.741  0.100  0.250  1.0
  Ba  Ba2  1  0.359  0.259  0.250  1.0
  Ba  Ba3  1  0.100  0.359  0.750  1.0
  Ba  Ba4  1  0.259  0.900  0.750  1.0
  Ba  Ba5  1  0.641  0.741  0.750  1.0
  Re  Re6  1  0.667  0.333  0.750  1.0
  Re  Re7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.881  0.562  0.750  1.0
  N  N9  1  0.681  0.119  0.750  1.0
  N  N10  1  0.438  0.319  0.750  1.0
  N  N11  1  0.119  0.438  0.250  1.0
  N  N12  1  0.319  0.881  0.250  1.0
  N  N13  1  0.562  0.681  0.250  1.0
[/CIF]
.
The crystal structure described by Ba3ReN3 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing BaN5 trigonal bipyramids. Re(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to five equivalent Ba(1) and one Re(1) atom to form a mixture of distorted edge and corner-sharing NBa5Re octahedra. The corner-sharing octahedral tilt angles range from 23-40°. is represented by the CIF file [CIF]
data_Ba3ReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.250
_cell_length_b   8.251
_cell_length_c   5.760
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   339.572
_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
  Ba  Ba0  1  0.900  0.641  0.250  1.0
  Ba  Ba1  1  0.741  0.100  0.250  1.0
  Ba  Ba2  1  0.359  0.259  0.250  1.0
  Ba  Ba3  1  0.100  0.359  0.750  1.0
  Ba  Ba4  1  0.259  0.900  0.750  1.0
  Ba  Ba5  1  0.641  0.741  0.750  1.0
  Re  Re6  1  0.667  0.333  0.750  1.0
  Re  Re7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.881  0.562  0.750  1.0
  N  N9  1  0.681  0.119  0.750  1.0
  N  N10  1  0.438  0.319  0.750  1.0
  N  N11  1  0.119  0.438  0.250  1.0
  N  N12  1  0.319  0.881  0.250  1.0
  N  N13  1  0.562  0.681  0.250  1.0
[/CIF]
.