The material structure described by Gd2NBr3 crystallizes in the triclinic P-1 space group. There are four inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 7-coordinate geometry to one N(1), one N(2), one Br(1), one Br(3), one Br(5), and two equivalent Br(6) atoms. In the second Gd site, Gd(2) is bonded in a 7-coordinate geometry to two equivalent N(1), one Br(1), one Br(2), one Br(3), one Br(4), and one Br(6) atom. In the third Gd site, Gd(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one Br(2), one Br(5), one Br(6), and two equivalent Br(4) atoms. In the fourth Gd site, Gd(4) is bonded in a 2-coordinate geometry to two equivalent N(2), one Br(1), one Br(3), one Br(5), one Br(6), and two equivalent Br(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Gd(1), one Gd(3), and two equivalent Gd(2) atoms to form edge-sharing NGd4 tetrahedra. In the second N site, N(2) is bonded to one Gd(1), one Gd(3), and two equivalent Gd(4) atoms to form edge-sharing NGd4 tetrahedra. There are six inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Gd(2), and one Gd(4) atom. In the second Br site, Br(2) is bonded in a distorted see-saw-like geometry to one Gd(2), one Gd(3), and two equivalent Gd(4) atoms. In the third Br site, Br(3) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Gd(2), and one Gd(4) atom. In the fourth Br site, Br(4) is bonded in a distorted T-shaped geometry to one Gd(2) and two equivalent Gd(3) atoms. In the fifth Br site, Br(5) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(3), and one Gd(4) atom. In the sixth Br site, Br(6) is bonded in a 5-coordinate geometry to one Gd(2), one Gd(3), one Gd(4), and two equivalent Gd(1) atoms. is represented by the CIF file [CIF]
data_Gd2Br3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.331
_cell_length_b   8.392
_cell_length_c   10.339
_cell_angle_alpha   106.838
_cell_angle_beta   104.198
_cell_angle_gamma   98.805
_symmetry_Int_Tables_number   1
_cell_volume   650.876
_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
  Gd  Gd0  1  0.098  0.840  0.271  1.0
  Gd  Gd1  1  0.902  0.160  0.729  1.0
  Gd  Gd2  1  0.574  0.920  0.359  1.0
  Gd  Gd3  1  0.426  0.080  0.641  1.0
  Gd  Gd4  1  0.301  0.241  0.323  1.0
  Gd  Gd5  1  0.699  0.759  0.677  1.0
  Gd  Gd6  1  0.154  0.922  0.940  1.0
  Gd  Gd7  1  0.846  0.078  0.060  1.0
  Br  Br8  1  0.732  0.761  0.119  1.0
  Br  Br9  1  0.268  0.239  0.881  1.0
  Br  Br10  1  0.533  0.140  0.172  1.0
  Br  Br11  1  0.467  0.860  0.828  1.0
  Br  Br12  1  0.282  0.687  0.092  1.0
  Br  Br13  1  0.718  0.313  0.908  1.0
  Br  Br14  1  0.427  0.427  0.632  1.0
  Br  Br15  1  0.573  0.573  0.368  1.0
  Br  Br16  1  0.046  0.439  0.252  1.0
  Br  Br17  1  0.954  0.561  0.748  1.0
  Br  Br18  1  0.078  0.842  0.560  1.0
  Br  Br19  1  0.922  0.158  0.440  1.0
  N  N20  1  0.348  0.023  0.406  1.0
  N  N21  1  0.652  0.977  0.594  1.0
  N  N22  1  0.098  0.027  0.147  1.0
  N  N23  1  0.902  0.973  0.853  1.0
[/CIF]
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The material structure described by Gd2NBr3 crystallizes in the triclinic P-1 space group. There are four inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 7-coordinate geometry to one N(1), one N(2), one Br(1), one Br(3), one Br(5), and two equivalent Br(6) atoms. In the second Gd site, Gd(2) is bonded in a 7-coordinate geometry to two equivalent N(1), one Br(1), one Br(2), one Br(3), one Br(4), and one Br(6) atom. In the third Gd site, Gd(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one Br(2), one Br(5), one Br(6), and two equivalent Br(4) atoms. In the fourth Gd site, Gd(4) is bonded in a 2-coordinate geometry to two equivalent N(2), one Br(1), one Br(3), one Br(5), one Br(6), and two equivalent Br(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Gd(1), one Gd(3), and two equivalent Gd(2) atoms to form edge-sharing NGd4 tetrahedra. In the second N site, N(2) is bonded to one Gd(1), one Gd(3), and two equivalent Gd(4) atoms to form edge-sharing NGd4 tetrahedra. There are six inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Gd(2), and one Gd(4) atom. In the second Br site, Br(2) is bonded in a distorted see-saw-like geometry to one Gd(2), one Gd(3), and two equivalent Gd(4) atoms. In the third Br site, Br(3) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Gd(2), and one Gd(4) atom. In the fourth Br site, Br(4) is bonded in a distorted T-shaped geometry to one Gd(2) and two equivalent Gd(3) atoms. In the fifth Br site, Br(5) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(3), and one Gd(4) atom. In the sixth Br site, Br(6) is bonded in a 5-coordinate geometry to one Gd(2), one Gd(3), one Gd(4), and two equivalent Gd(1) atoms. is represented by the CIF file [CIF]
data_Gd2Br3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.331
_cell_length_b   8.392
_cell_length_c   10.339
_cell_angle_alpha   106.838
_cell_angle_beta   104.198
_cell_angle_gamma   98.805
_symmetry_Int_Tables_number   1
_cell_volume   650.876
_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
  Gd  Gd0  1  0.098  0.840  0.271  1.0
  Gd  Gd1  1  0.902  0.160  0.729  1.0
  Gd  Gd2  1  0.574  0.920  0.359  1.0
  Gd  Gd3  1  0.426  0.080  0.641  1.0
  Gd  Gd4  1  0.301  0.241  0.323  1.0
  Gd  Gd5  1  0.699  0.759  0.677  1.0
  Gd  Gd6  1  0.154  0.922  0.940  1.0
  Gd  Gd7  1  0.846  0.078  0.060  1.0
  Br  Br8  1  0.732  0.761  0.119  1.0
  Br  Br9  1  0.268  0.239  0.881  1.0
  Br  Br10  1  0.533  0.140  0.172  1.0
  Br  Br11  1  0.467  0.860  0.828  1.0
  Br  Br12  1  0.282  0.687  0.092  1.0
  Br  Br13  1  0.718  0.313  0.908  1.0
  Br  Br14  1  0.427  0.427  0.632  1.0
  Br  Br15  1  0.573  0.573  0.368  1.0
  Br  Br16  1  0.046  0.439  0.252  1.0
  Br  Br17  1  0.954  0.561  0.748  1.0
  Br  Br18  1  0.078  0.842  0.560  1.0
  Br  Br19  1  0.922  0.158  0.440  1.0
  N  N20  1  0.348  0.023  0.406  1.0
  N  N21  1  0.652  0.977  0.594  1.0
  N  N22  1  0.098  0.027  0.147  1.0
  N  N23  1  0.902  0.973  0.853  1.0
[/CIF]
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