The material described by WReN3 crystallizes in the triclinic P-1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 5-coordinate geometry to one N(1), one N(5), one N(6), and two equivalent N(4) atoms. In the second W site, W(2) is bonded in a distorted tetrahedral geometry to one N(1), one N(2), one N(3), and one N(6) atom. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 6-coordinate geometry to one N(2), one N(6), two equivalent N(4), and two equivalent N(5) atoms. In the second Re site, Re(2) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(5), and three equivalent N(3) atoms. There are six inequivalent N sites. In the first N site, N(1) is bonded in a T-shaped geometry to one W(1), one W(2), and one Re(2) atom. In the second N site, N(2) is bonded in a T-shaped geometry to one W(2), one Re(1), and one Re(2) atom. In the third N site, N(3) is bonded in a rectangular see-saw-like geometry to one W(2) and three equivalent Re(2) atoms. In the fourth N site, N(4) is bonded to two equivalent W(1) and two equivalent Re(1) atoms to form a mixture of distorted corner and edge-sharing NRe2W2 tetrahedra. In the fifth N site, N(5) is bonded in a rectangular see-saw-like geometry to one W(1), one Re(2), and two equivalent Re(1) atoms. In the sixth N site, N(6) is bonded in a distorted T-shaped geometry to one W(1), one W(2), and one Re(1) atom. is represented by the CIF card [CIF]
data_ReWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.893
_cell_length_b   8.048
_cell_length_c   9.460
_cell_angle_alpha   101.113
_cell_angle_beta   115.414
_cell_angle_gamma   102.014
_symmetry_Int_Tables_number   1
_cell_volume   248.140
_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  0.408  0.556  0.699  1.0
  Re  Re1  1  0.592  0.444  0.301  1.0
  Re  Re2  1  0.990  0.124  0.125  1.0
  Re  Re3  1  0.010  0.876  0.875  1.0
  W  W4  1  0.675  0.746  0.539  1.0
  W  W5  1  0.325  0.254  0.461  1.0
  W  W6  1  0.158  0.808  0.169  1.0
  W  W7  1  0.842  0.192  0.831  1.0
  N  N8  1  0.147  0.010  0.330  1.0
  N  N9  1  0.853  0.990  0.670  1.0
  N  N10  1  0.748  0.677  0.952  1.0
  N  N11  1  0.252  0.323  0.048  1.0
  N  N12  1  0.426  0.012  0.121  1.0
  N  N13  1  0.574  0.988  0.879  1.0
  N  N14  1  0.108  0.656  0.491  1.0
  N  N15  1  0.892  0.344  0.509  1.0
  N  N16  1  0.023  0.348  0.272  1.0
  N  N17  1  0.977  0.652  0.728  1.0
  N  N18  1  0.472  0.676  0.280  1.0
  N  N19  1  0.528  0.324  0.720  1.0
[/CIF]
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The material described by WReN3 crystallizes in the triclinic P-1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 5-coordinate geometry to one N(1), one N(5), one N(6), and two equivalent N(4) atoms. In the second W site, W(2) is bonded in a distorted tetrahedral geometry to one N(1), one N(2), one N(3), and one N(6) atom. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 6-coordinate geometry to one N(2), one N(6), two equivalent N(4), and two equivalent N(5) atoms. In the second Re site, Re(2) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(5), and three equivalent N(3) atoms. There are six inequivalent N sites. In the first N site, N(1) is bonded in a T-shaped geometry to one W(1), one W(2), and one Re(2) atom. In the second N site, N(2) is bonded in a T-shaped geometry to one W(2), one Re(1), and one Re(2) atom. In the third N site, N(3) is bonded in a rectangular see-saw-like geometry to one W(2) and three equivalent Re(2) atoms. In the fourth N site, N(4) is bonded to two equivalent W(1) and two equivalent Re(1) atoms to form a mixture of distorted corner and edge-sharing NRe2W2 tetrahedra. In the fifth N site, N(5) is bonded in a rectangular see-saw-like geometry to one W(1), one Re(2), and two equivalent Re(1) atoms. In the sixth N site, N(6) is bonded in a distorted T-shaped geometry to one W(1), one W(2), and one Re(1) atom. is represented by the CIF card [CIF]
data_ReWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.893
_cell_length_b   8.048
_cell_length_c   9.460
_cell_angle_alpha   101.113
_cell_angle_beta   115.414
_cell_angle_gamma   102.014
_symmetry_Int_Tables_number   1
_cell_volume   248.140
_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  0.408  0.556  0.699  1.0
  Re  Re1  1  0.592  0.444  0.301  1.0
  Re  Re2  1  0.990  0.124  0.125  1.0
  Re  Re3  1  0.010  0.876  0.875  1.0
  W  W4  1  0.675  0.746  0.539  1.0
  W  W5  1  0.325  0.254  0.461  1.0
  W  W6  1  0.158  0.808  0.169  1.0
  W  W7  1  0.842  0.192  0.831  1.0
  N  N8  1  0.147  0.010  0.330  1.0
  N  N9  1  0.853  0.990  0.670  1.0
  N  N10  1  0.748  0.677  0.952  1.0
  N  N11  1  0.252  0.323  0.048  1.0
  N  N12  1  0.426  0.012  0.121  1.0
  N  N13  1  0.574  0.988  0.879  1.0
  N  N14  1  0.108  0.656  0.491  1.0
  N  N15  1  0.892  0.344  0.509  1.0
  N  N16  1  0.023  0.348  0.272  1.0
  N  N17  1  0.977  0.652  0.728  1.0
  N  N18  1  0.472  0.676  0.280  1.0
  N  N19  1  0.528  0.324  0.720  1.0
[/CIF]
.