The material described by CsRe2N3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to four equivalent N(2) atoms to form distorted edge-sharing CsN4 tetrahedra. In the second Cs site, Cs(2) is bonded in a 2-coordinate geometry to two equivalent N(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 4-coordinate geometry to one N(2), one N(3), and two equivalent N(1) atoms. In the second Re site, Re(2) is bonded in a water-like geometry to one N(2) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(3) is bonded in a 2-coordinate geometry to one Re(1), one Re(2), and one N(1) atom. In the second N site, N(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one N(3) atom. In the third N site, N(2) is bonded in a 5-coordinate geometry to one Cs(2), two equivalent Cs(1), one Re(1), and one Re(2) atom. is represented by the CIF file [CIF]
data_CsRe2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.515
_cell_length_b   14.602
_cell_length_c   7.354
_cell_angle_alpha   90.000
_cell_angle_beta   116.890
_cell_angle_gamma   39.884
_symmetry_Int_Tables_number   1
_cell_volume   464.439
_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
  Cs  Cs0  1  0.000  0.966  0.750  1.0
  Cs  Cs1  1  0.000  0.034  0.250  1.0
  Cs  Cs2  1  0.000  0.488  0.750  1.0
  Cs  Cs3  1  0.000  0.512  0.250  1.0
  Re  Re4  1  0.313  0.554  0.708  1.0
  Re  Re5  1  0.687  0.867  0.792  1.0
  Re  Re6  1  0.687  0.446  0.292  1.0
  Re  Re7  1  0.313  0.133  0.208  1.0
  Re  Re8  1  0.748  0.347  0.706  1.0
  Re  Re9  1  0.252  0.096  0.794  1.0
  Re  Re10  1  0.252  0.653  0.294  1.0
  Re  Re11  1  0.748  0.904  0.206  1.0
  N  N12  1  0.344  0.533  0.006  1.0
  N  N13  1  0.656  0.876  0.494  1.0
  N  N14  1  0.656  0.467  0.994  1.0
  N  N15  1  0.344  0.124  0.506  1.0
  N  N16  1  0.433  0.904  0.764  1.0
  N  N17  1  0.567  0.337  0.736  1.0
  N  N18  1  0.567  0.096  0.236  1.0
  N  N19  1  0.433  0.663  0.264  1.0
  N  N20  1  0.139  0.233  0.523  1.0
  N  N21  1  0.861  0.372  0.977  1.0
  N  N22  1  0.861  0.767  0.477  1.0
  N  N23  1  0.139  0.628  0.023  1.0
[/CIF]
.
The material described by CsRe2N3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to four equivalent N(2) atoms to form distorted edge-sharing CsN4 tetrahedra. In the second Cs site, Cs(2) is bonded in a 2-coordinate geometry to two equivalent N(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 4-coordinate geometry to one N(2), one N(3), and two equivalent N(1) atoms. In the second Re site, Re(2) is bonded in a water-like geometry to one N(2) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(3) is bonded in a 2-coordinate geometry to one Re(1), one Re(2), and one N(1) atom. In the second N site, N(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one N(3) atom. In the third N site, N(2) is bonded in a 5-coordinate geometry to one Cs(2), two equivalent Cs(1), one Re(1), and one Re(2) atom. is represented by the CIF file [CIF]
data_CsRe2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.515
_cell_length_b   14.602
_cell_length_c   7.354
_cell_angle_alpha   90.000
_cell_angle_beta   116.890
_cell_angle_gamma   39.884
_symmetry_Int_Tables_number   1
_cell_volume   464.439
_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
  Cs  Cs0  1  0.000  0.966  0.750  1.0
  Cs  Cs1  1  0.000  0.034  0.250  1.0
  Cs  Cs2  1  0.000  0.488  0.750  1.0
  Cs  Cs3  1  0.000  0.512  0.250  1.0
  Re  Re4  1  0.313  0.554  0.708  1.0
  Re  Re5  1  0.687  0.867  0.792  1.0
  Re  Re6  1  0.687  0.446  0.292  1.0
  Re  Re7  1  0.313  0.133  0.208  1.0
  Re  Re8  1  0.748  0.347  0.706  1.0
  Re  Re9  1  0.252  0.096  0.794  1.0
  Re  Re10  1  0.252  0.653  0.294  1.0
  Re  Re11  1  0.748  0.904  0.206  1.0
  N  N12  1  0.344  0.533  0.006  1.0
  N  N13  1  0.656  0.876  0.494  1.0
  N  N14  1  0.656  0.467  0.994  1.0
  N  N15  1  0.344  0.124  0.506  1.0
  N  N16  1  0.433  0.904  0.764  1.0
  N  N17  1  0.567  0.337  0.736  1.0
  N  N18  1  0.567  0.096  0.236  1.0
  N  N19  1  0.433  0.663  0.264  1.0
  N  N20  1  0.139  0.233  0.523  1.0
  N  N21  1  0.861  0.372  0.977  1.0
  N  N22  1  0.861  0.767  0.477  1.0
  N  N23  1  0.139  0.628  0.023  1.0
[/CIF]
.