The structure described by Nd2Re3B6 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 9-coordinate geometry to three equivalent B(1), three equivalent B(3), and four equivalent B(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 8-coordinate geometry to two equivalent B(1), two equivalent B(2), and four equivalent B(3) atoms. In the second Re site, Re(2) is bonded in a 6-coordinate geometry to one B(3), two equivalent B(2), and three equivalent B(1) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to three equivalent Nd(1), one Re(1), three equivalent Re(2), and one B(3) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Re(1), two equivalent Re(2), one B(2), and one B(3) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to three equivalent Nd(1), one Re(2), two equivalent Re(1), one B(1), one B(2), and one B(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2(ReB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.321
_cell_length_b   6.321
_cell_length_c   7.625
_cell_angle_alpha   90.459
_cell_angle_beta   90.459
_cell_angle_gamma   114.769
_symmetry_Int_Tables_number   1
_cell_volume   276.596
_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
  Nd  Nd0  1  0.093  0.441  0.325  1.0
  Nd  Nd1  1  0.559  0.907  0.175  1.0
  Nd  Nd2  1  0.907  0.559  0.675  1.0
  Nd  Nd3  1  0.441  0.093  0.825  1.0
  Re  Re4  1  0.584  0.416  0.250  1.0
  Re  Re5  1  0.416  0.584  0.750  1.0
  Re  Re6  1  0.989  0.804  0.087  1.0
  Re  Re7  1  0.196  0.011  0.413  1.0
  Re  Re8  1  0.011  0.196  0.913  1.0
  Re  Re9  1  0.804  0.989  0.587  1.0
  B  B10  1  0.243  0.151  0.132  1.0
  B  B11  1  0.849  0.757  0.368  1.0
  B  B12  1  0.757  0.849  0.868  1.0
  B  B13  1  0.151  0.243  0.632  1.0
  B  B14  1  0.586  0.159  0.480  1.0
  B  B15  1  0.841  0.414  0.020  1.0
  B  B16  1  0.414  0.841  0.520  1.0
  B  B17  1  0.159  0.586  0.980  1.0
  B  B18  1  0.441  0.350  0.534  1.0
  B  B19  1  0.650  0.559  0.966  1.0
  B  B20  1  0.559  0.650  0.466  1.0
  B  B21  1  0.350  0.441  0.034  1.0
[/CIF]
.
The structure described by Nd2Re3B6 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 9-coordinate geometry to three equivalent B(1), three equivalent B(3), and four equivalent B(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 8-coordinate geometry to two equivalent B(1), two equivalent B(2), and four equivalent B(3) atoms. In the second Re site, Re(2) is bonded in a 6-coordinate geometry to one B(3), two equivalent B(2), and three equivalent B(1) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to three equivalent Nd(1), one Re(1), three equivalent Re(2), and one B(3) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Re(1), two equivalent Re(2), one B(2), and one B(3) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to three equivalent Nd(1), one Re(2), two equivalent Re(1), one B(1), one B(2), and one B(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2(ReB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.321
_cell_length_b   6.321
_cell_length_c   7.625
_cell_angle_alpha   90.459
_cell_angle_beta   90.459
_cell_angle_gamma   114.769
_symmetry_Int_Tables_number   1
_cell_volume   276.596
_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
  Nd  Nd0  1  0.093  0.441  0.325  1.0
  Nd  Nd1  1  0.559  0.907  0.175  1.0
  Nd  Nd2  1  0.907  0.559  0.675  1.0
  Nd  Nd3  1  0.441  0.093  0.825  1.0
  Re  Re4  1  0.584  0.416  0.250  1.0
  Re  Re5  1  0.416  0.584  0.750  1.0
  Re  Re6  1  0.989  0.804  0.087  1.0
  Re  Re7  1  0.196  0.011  0.413  1.0
  Re  Re8  1  0.011  0.196  0.913  1.0
  Re  Re9  1  0.804  0.989  0.587  1.0
  B  B10  1  0.243  0.151  0.132  1.0
  B  B11  1  0.849  0.757  0.368  1.0
  B  B12  1  0.757  0.849  0.868  1.0
  B  B13  1  0.151  0.243  0.632  1.0
  B  B14  1  0.586  0.159  0.480  1.0
  B  B15  1  0.841  0.414  0.020  1.0
  B  B16  1  0.414  0.841  0.520  1.0
  B  B17  1  0.159  0.586  0.980  1.0
  B  B18  1  0.441  0.350  0.534  1.0
  B  B19  1  0.650  0.559  0.966  1.0
  B  B20  1  0.559  0.650  0.466  1.0
  B  B21  1  0.350  0.441  0.034  1.0
[/CIF]
.