The material described by Gd2B5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 12-coordinate geometry to two equivalent B(1), two equivalent B(3), two equivalent B(5), three equivalent B(2), and three equivalent B(4) atoms. In the second Gd site, Gd(2) is bonded in a 12-coordinate geometry to two equivalent B(1), two equivalent B(3), two equivalent B(5), three equivalent B(2), and three equivalent B(4) atoms. There are five inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Gd(1), two equivalent Gd(2), one B(2), two equivalent B(3), and two equivalent B(5) atoms. In the second B site, B(2) is bonded in a 8-coordinate geometry to three equivalent Gd(1), three equivalent Gd(2), one B(1), and one B(2) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Gd(1), two equivalent Gd(2), one B(4), two equivalent B(1), and two equivalent B(5) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to three equivalent Gd(1), three equivalent Gd(2), one B(3), one B(4), and one B(5) atom. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to two equivalent Gd(1), two equivalent Gd(2), one B(4), two equivalent B(1), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_Gd2B5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.145
_cell_length_b   7.157
_cell_length_c   7.181
_cell_angle_alpha   89.999
_cell_angle_beta   102.460
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   358.528
_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  0.241  0.685  0.256  1.0
  Gd  Gd1  1  0.759  0.185  0.244  1.0
  Gd  Gd2  1  0.759  0.315  0.744  1.0
  Gd  Gd3  1  0.241  0.815  0.756  1.0
  Gd  Gd4  1  0.233  0.308  0.629  1.0
  Gd  Gd5  1  0.767  0.808  0.871  1.0
  Gd  Gd6  1  0.767  0.692  0.371  1.0
  Gd  Gd7  1  0.233  0.192  0.129  1.0
  B  B8  1  0.685  0.498  0.038  1.0
  B  B9  1  0.315  0.998  0.462  1.0
  B  B10  1  0.315  0.502  0.962  1.0
  B  B11  1  0.685  0.002  0.538  1.0
  B  B12  1  0.077  0.508  0.928  1.0
  B  B13  1  0.923  0.008  0.572  1.0
  B  B14  1  0.923  0.492  0.072  1.0
  B  B15  1  0.077  0.992  0.428  1.0
  B  B16  1  0.503  0.673  0.040  1.0
  B  B17  1  0.497  0.173  0.460  1.0
  B  B18  1  0.497  0.327  0.960  1.0
  B  B19  1  0.503  0.827  0.540  1.0
  B  B20  1  0.501  0.090  0.910  1.0
  B  B21  1  0.499  0.590  0.590  1.0
  B  B22  1  0.499  0.910  0.090  1.0
  B  B23  1  0.501  0.410  0.410  1.0
  B  B24  1  0.503  0.039  0.673  1.0
  B  B25  1  0.497  0.539  0.827  1.0
  B  B26  1  0.497  0.961  0.327  1.0
  B  B27  1  0.503  0.461  0.173  1.0
[/CIF]
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The material described by Gd2B5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 12-coordinate geometry to two equivalent B(1), two equivalent B(3), two equivalent B(5), three equivalent B(2), and three equivalent B(4) atoms. In the second Gd site, Gd(2) is bonded in a 12-coordinate geometry to two equivalent B(1), two equivalent B(3), two equivalent B(5), three equivalent B(2), and three equivalent B(4) atoms. There are five inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Gd(1), two equivalent Gd(2), one B(2), two equivalent B(3), and two equivalent B(5) atoms. In the second B site, B(2) is bonded in a 8-coordinate geometry to three equivalent Gd(1), three equivalent Gd(2), one B(1), and one B(2) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Gd(1), two equivalent Gd(2), one B(4), two equivalent B(1), and two equivalent B(5) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to three equivalent Gd(1), three equivalent Gd(2), one B(3), one B(4), and one B(5) atom. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to two equivalent Gd(1), two equivalent Gd(2), one B(4), two equivalent B(1), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_Gd2B5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.145
_cell_length_b   7.157
_cell_length_c   7.181
_cell_angle_alpha   89.999
_cell_angle_beta   102.460
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   358.528
_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  0.241  0.685  0.256  1.0
  Gd  Gd1  1  0.759  0.185  0.244  1.0
  Gd  Gd2  1  0.759  0.315  0.744  1.0
  Gd  Gd3  1  0.241  0.815  0.756  1.0
  Gd  Gd4  1  0.233  0.308  0.629  1.0
  Gd  Gd5  1  0.767  0.808  0.871  1.0
  Gd  Gd6  1  0.767  0.692  0.371  1.0
  Gd  Gd7  1  0.233  0.192  0.129  1.0
  B  B8  1  0.685  0.498  0.038  1.0
  B  B9  1  0.315  0.998  0.462  1.0
  B  B10  1  0.315  0.502  0.962  1.0
  B  B11  1  0.685  0.002  0.538  1.0
  B  B12  1  0.077  0.508  0.928  1.0
  B  B13  1  0.923  0.008  0.572  1.0
  B  B14  1  0.923  0.492  0.072  1.0
  B  B15  1  0.077  0.992  0.428  1.0
  B  B16  1  0.503  0.673  0.040  1.0
  B  B17  1  0.497  0.173  0.460  1.0
  B  B18  1  0.497  0.327  0.960  1.0
  B  B19  1  0.503  0.827  0.540  1.0
  B  B20  1  0.501  0.090  0.910  1.0
  B  B21  1  0.499  0.590  0.590  1.0
  B  B22  1  0.499  0.910  0.090  1.0
  B  B23  1  0.501  0.410  0.410  1.0
  B  B24  1  0.503  0.039  0.673  1.0
  B  B25  1  0.497  0.539  0.827  1.0
  B  B26  1  0.497  0.961  0.327  1.0
  B  B27  1  0.503  0.461  0.173  1.0
[/CIF]
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