The material described by GdBN2 crystallizes in the trigonal R3c space group. Gd(1) is bonded to two equivalent N(1) and five equivalent N(2) atoms to form a mixture of distorted edge, corner, and face-sharing GdN7 pentagonal bipyramids. B(1) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Gd(1) and two equivalent B(1) atoms. In the second N site, N(2) is bonded in a distorted single-bond geometry to five equivalent Gd(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdBN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.740
_cell_length_b   7.233
_cell_length_c   7.233
_cell_angle_alpha   110.809
_cell_angle_beta   108.098
_cell_angle_gamma   108.098
_symmetry_Int_Tables_number   1
_cell_volume   275.891
_cell_formula_units_Z   6
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  0.248  0.546  0.453  1.0
  Gd  Gd1  1  0.795  0.547  0.092  1.0
  Gd  Gd2  1  0.703  0.908  0.454  1.0
  Gd  Gd3  1  0.748  0.453  0.546  1.0
  Gd  Gd4  1  0.203  0.454  0.908  1.0
  Gd  Gd5  1  0.295  0.092  0.547  1.0
  B  B6  1  0.868  0.121  0.242  1.0
  B  B7  1  0.626  0.758  0.879  1.0
  B  B8  1  0.747  0.121  0.879  1.0
  B  B9  1  0.368  0.242  0.121  1.0
  B  B10  1  0.247  0.879  0.121  1.0
  B  B11  1  0.126  0.879  0.758  1.0
  N  N12  1  0.871  0.249  0.125  1.0
  N  N13  1  0.747  0.875  0.125  1.0
  N  N14  1  0.622  0.875  0.751  1.0
  N  N15  1  0.371  0.125  0.249  1.0
  N  N16  1  0.122  0.751  0.875  1.0
  N  N17  1  0.247  0.125  0.875  1.0
  N  N18  1  0.504  0.512  0.756  1.0
  N  N19  1  0.748  0.244  0.756  1.0
  N  N20  1  0.992  0.244  0.488  1.0
  N  N21  1  0.004  0.756  0.512  1.0
  N  N22  1  0.492  0.488  0.244  1.0
  N  N23  1  0.248  0.756  0.244  1.0
[/CIF]
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The material described by GdBN2 crystallizes in the trigonal R3c space group. Gd(1) is bonded to two equivalent N(1) and five equivalent N(2) atoms to form a mixture of distorted edge, corner, and face-sharing GdN7 pentagonal bipyramids. B(1) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Gd(1) and two equivalent B(1) atoms. In the second N site, N(2) is bonded in a distorted single-bond geometry to five equivalent Gd(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdBN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.740
_cell_length_b   7.233
_cell_length_c   7.233
_cell_angle_alpha   110.809
_cell_angle_beta   108.098
_cell_angle_gamma   108.098
_symmetry_Int_Tables_number   1
_cell_volume   275.891
_cell_formula_units_Z   6
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  0.248  0.546  0.453  1.0
  Gd  Gd1  1  0.795  0.547  0.092  1.0
  Gd  Gd2  1  0.703  0.908  0.454  1.0
  Gd  Gd3  1  0.748  0.453  0.546  1.0
  Gd  Gd4  1  0.203  0.454  0.908  1.0
  Gd  Gd5  1  0.295  0.092  0.547  1.0
  B  B6  1  0.868  0.121  0.242  1.0
  B  B7  1  0.626  0.758  0.879  1.0
  B  B8  1  0.747  0.121  0.879  1.0
  B  B9  1  0.368  0.242  0.121  1.0
  B  B10  1  0.247  0.879  0.121  1.0
  B  B11  1  0.126  0.879  0.758  1.0
  N  N12  1  0.871  0.249  0.125  1.0
  N  N13  1  0.747  0.875  0.125  1.0
  N  N14  1  0.622  0.875  0.751  1.0
  N  N15  1  0.371  0.125  0.249  1.0
  N  N16  1  0.122  0.751  0.875  1.0
  N  N17  1  0.247  0.125  0.875  1.0
  N  N18  1  0.504  0.512  0.756  1.0
  N  N19  1  0.748  0.244  0.756  1.0
  N  N20  1  0.992  0.244  0.488  1.0
  N  N21  1  0.004  0.756  0.512  1.0
  N  N22  1  0.492  0.488  0.244  1.0
  N  N23  1  0.248  0.756  0.244  1.0
[/CIF]
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