The compound described by Pr2Re3B6 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/c space group. Pr(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 Pr(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 Pr(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 Pr(1), one Re(2), two equivalent Re(1), one B(1), one B(2), and one B(3) atom. is represented by the CIF card [CIF]
data_Pr2(ReB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.330
_cell_length_b   6.330
_cell_length_c   7.632
_cell_angle_alpha   89.442
_cell_angle_beta   89.442
_cell_angle_gamma   114.895
_symmetry_Int_Tables_number   1
_cell_volume   277.377
_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
  Pr  Pr0  1  0.908  0.559  0.327  1.0
  Pr  Pr1  1  0.441  0.092  0.173  1.0
  Pr  Pr2  1  0.092  0.441  0.673  1.0
  Pr  Pr3  1  0.559  0.908  0.827  1.0
  Re  Re4  1  0.417  0.583  0.250  1.0
  Re  Re5  1  0.583  0.417  0.750  1.0
  Re  Re6  1  0.011  0.195  0.087  1.0
  Re  Re7  1  0.805  0.989  0.413  1.0
  Re  Re8  1  0.989  0.805  0.913  1.0
  Re  Re9  1  0.195  0.011  0.587  1.0
  B  B10  1  0.759  0.849  0.132  1.0
  B  B11  1  0.151  0.241  0.368  1.0
  B  B12  1  0.241  0.151  0.868  1.0
  B  B13  1  0.849  0.759  0.632  1.0
  B  B14  1  0.415  0.842  0.480  1.0
  B  B15  1  0.158  0.585  0.020  1.0
  B  B16  1  0.585  0.158  0.520  1.0
  B  B17  1  0.842  0.415  0.980  1.0
  B  B18  1  0.560  0.651  0.533  1.0
  B  B19  1  0.349  0.440  0.967  1.0
  B  B20  1  0.440  0.349  0.467  1.0
  B  B21  1  0.651  0.560  0.033  1.0
[/CIF]
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The compound described by Pr2Re3B6 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/c space group. Pr(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 Pr(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 Pr(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 Pr(1), one Re(2), two equivalent Re(1), one B(1), one B(2), and one B(3) atom. is represented by the CIF card [CIF]
data_Pr2(ReB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.330
_cell_length_b   6.330
_cell_length_c   7.632
_cell_angle_alpha   89.442
_cell_angle_beta   89.442
_cell_angle_gamma   114.895
_symmetry_Int_Tables_number   1
_cell_volume   277.377
_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
  Pr  Pr0  1  0.908  0.559  0.327  1.0
  Pr  Pr1  1  0.441  0.092  0.173  1.0
  Pr  Pr2  1  0.092  0.441  0.673  1.0
  Pr  Pr3  1  0.559  0.908  0.827  1.0
  Re  Re4  1  0.417  0.583  0.250  1.0
  Re  Re5  1  0.583  0.417  0.750  1.0
  Re  Re6  1  0.011  0.195  0.087  1.0
  Re  Re7  1  0.805  0.989  0.413  1.0
  Re  Re8  1  0.989  0.805  0.913  1.0
  Re  Re9  1  0.195  0.011  0.587  1.0
  B  B10  1  0.759  0.849  0.132  1.0
  B  B11  1  0.151  0.241  0.368  1.0
  B  B12  1  0.241  0.151  0.868  1.0
  B  B13  1  0.849  0.759  0.632  1.0
  B  B14  1  0.415  0.842  0.480  1.0
  B  B15  1  0.158  0.585  0.020  1.0
  B  B16  1  0.585  0.158  0.520  1.0
  B  B17  1  0.842  0.415  0.980  1.0
  B  B18  1  0.560  0.651  0.533  1.0
  B  B19  1  0.349  0.440  0.967  1.0
  B  B20  1  0.440  0.349  0.467  1.0
  B  B21  1  0.651  0.560  0.033  1.0
[/CIF]
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