The structure described by GdH3 crystallizes in the trigonal P-3c1 space group. Gd(1) is bonded in a 11-coordinate geometry to one H(1), two equivalent H(2), and eight equivalent H(3) atoms. There are three inequivalent H sites. In the first H site, H(2) is bonded in a trigonal planar geometry to three equivalent Gd(1) atoms. In the second H site, H(3) is bonded to four equivalent Gd(1) atoms to form a mixture of distorted corner, face, and edge-sharing HGd4 tetrahedra. In the third H site, H(1) is bonded in a trigonal planar geometry to three equivalent Gd(1) atoms. is represented by the CIF card [CIF]
data_GdH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.431
_cell_length_b   6.431
_cell_length_c   6.693
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   239.702
_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  0.336  0.000  0.250  1.0
  Gd  Gd1  1  0.000  0.336  0.250  1.0
  Gd  Gd2  1  0.664  0.664  0.250  1.0
  Gd  Gd3  1  0.664  0.000  0.750  1.0
  Gd  Gd4  1  0.000  0.664  0.750  1.0
  Gd  Gd5  1  0.336  0.336  0.750  1.0
  H  H6  1  0.000  0.000  0.250  1.0
  H  H7  1  0.000  0.000  0.750  1.0
  H  H8  1  0.333  0.667  0.188  1.0
  H  H9  1  0.667  0.333  0.312  1.0
  H  H10  1  0.667  0.333  0.812  1.0
  H  H11  1  0.333  0.667  0.688  1.0
  H  H12  1  0.349  0.322  0.092  1.0
  H  H13  1  0.678  0.027  0.092  1.0
  H  H14  1  0.973  0.651  0.092  1.0
  H  H15  1  0.027  0.678  0.408  1.0
  H  H16  1  0.651  0.973  0.408  1.0
  H  H17  1  0.322  0.349  0.408  1.0
  H  H18  1  0.651  0.678  0.908  1.0
  H  H19  1  0.322  0.973  0.908  1.0
  H  H20  1  0.027  0.349  0.908  1.0
  H  H21  1  0.973  0.322  0.592  1.0
  H  H22  1  0.349  0.027  0.592  1.0
  H  H23  1  0.678  0.651  0.592  1.0
[/CIF]
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The structure described by GdH3 crystallizes in the trigonal P-3c1 space group. Gd(1) is bonded in a 11-coordinate geometry to one H(1), two equivalent H(2), and eight equivalent H(3) atoms. There are three inequivalent H sites. In the first H site, H(2) is bonded in a trigonal planar geometry to three equivalent Gd(1) atoms. In the second H site, H(3) is bonded to four equivalent Gd(1) atoms to form a mixture of distorted corner, face, and edge-sharing HGd4 tetrahedra. In the third H site, H(1) is bonded in a trigonal planar geometry to three equivalent Gd(1) atoms. is represented by the CIF card [CIF]
data_GdH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.431
_cell_length_b   6.431
_cell_length_c   6.693
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   239.702
_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  0.336  0.000  0.250  1.0
  Gd  Gd1  1  0.000  0.336  0.250  1.0
  Gd  Gd2  1  0.664  0.664  0.250  1.0
  Gd  Gd3  1  0.664  0.000  0.750  1.0
  Gd  Gd4  1  0.000  0.664  0.750  1.0
  Gd  Gd5  1  0.336  0.336  0.750  1.0
  H  H6  1  0.000  0.000  0.250  1.0
  H  H7  1  0.000  0.000  0.750  1.0
  H  H8  1  0.333  0.667  0.188  1.0
  H  H9  1  0.667  0.333  0.312  1.0
  H  H10  1  0.667  0.333  0.812  1.0
  H  H11  1  0.333  0.667  0.688  1.0
  H  H12  1  0.349  0.322  0.092  1.0
  H  H13  1  0.678  0.027  0.092  1.0
  H  H14  1  0.973  0.651  0.092  1.0
  H  H15  1  0.027  0.678  0.408  1.0
  H  H16  1  0.651  0.973  0.408  1.0
  H  H17  1  0.322  0.349  0.408  1.0
  H  H18  1  0.651  0.678  0.908  1.0
  H  H19  1  0.322  0.973  0.908  1.0
  H  H20  1  0.027  0.349  0.908  1.0
  H  H21  1  0.973  0.322  0.592  1.0
  H  H22  1  0.349  0.027  0.592  1.0
  H  H23  1  0.678  0.651  0.592  1.0
[/CIF]
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