The crystal structure described by DyH3 crystallizes in the trigonal P-3c1 space group. Dy(1) is bonded in a 11-coordinate geometry to one H(2), two equivalent H(3), and eight equivalent H(1) atoms. There are three inequivalent H sites. In the first H site, H(2) is bonded in a trigonal planar geometry to three equivalent Dy(1) atoms. In the second H site, H(3) is bonded in a trigonal planar geometry to three equivalent Dy(1) atoms. In the third H site, H(1) is bonded to four equivalent Dy(1) atoms to form a mixture of distorted face, corner, and edge-sharing HDy4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.311
_cell_length_b   6.311
_cell_length_c   6.582
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   227.028
_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
  Dy  Dy0  1  0.337  0.337  0.750  1.0
  Dy  Dy1  1  0.663  1.000  0.750  1.0
  Dy  Dy2  1  1.000  0.663  0.750  1.0
  Dy  Dy3  1  0.337  0.000  0.250  1.0
  Dy  Dy4  1  0.000  0.337  0.250  1.0
  Dy  Dy5  1  0.663  0.663  0.250  1.0
  H  H6  1  0.680  0.648  0.591  1.0
  H  H7  1  0.352  0.031  0.591  1.0
  H  H8  1  0.969  0.320  0.591  1.0
  H  H9  1  0.680  0.031  0.091  1.0
  H  H10  1  0.969  0.648  0.091  1.0
  H  H11  1  0.352  0.320  0.091  1.0
  H  H12  1  0.320  0.352  0.409  1.0
  H  H13  1  0.648  0.969  0.409  1.0
  H  H14  1  0.031  0.680  0.409  1.0
  H  H15  1  0.320  0.969  0.909  1.0
  H  H16  1  0.031  0.352  0.909  1.0
  H  H17  1  0.648  0.680  0.909  1.0
  H  H18  1  1.000  1.000  0.750  1.0
  H  H19  1  0.000  0.000  0.250  1.0
  H  H20  1  0.333  0.667  0.687  1.0
  H  H21  1  0.333  0.667  0.187  1.0
  H  H22  1  0.667  0.333  0.313  1.0
  H  H23  1  0.667  0.333  0.813  1.0
[/CIF]
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The crystal structure described by DyH3 crystallizes in the trigonal P-3c1 space group. Dy(1) is bonded in a 11-coordinate geometry to one H(2), two equivalent H(3), and eight equivalent H(1) atoms. There are three inequivalent H sites. In the first H site, H(2) is bonded in a trigonal planar geometry to three equivalent Dy(1) atoms. In the second H site, H(3) is bonded in a trigonal planar geometry to three equivalent Dy(1) atoms. In the third H site, H(1) is bonded to four equivalent Dy(1) atoms to form a mixture of distorted face, corner, and edge-sharing HDy4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.311
_cell_length_b   6.311
_cell_length_c   6.582
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   227.028
_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
  Dy  Dy0  1  0.337  0.337  0.750  1.0
  Dy  Dy1  1  0.663  1.000  0.750  1.0
  Dy  Dy2  1  1.000  0.663  0.750  1.0
  Dy  Dy3  1  0.337  0.000  0.250  1.0
  Dy  Dy4  1  0.000  0.337  0.250  1.0
  Dy  Dy5  1  0.663  0.663  0.250  1.0
  H  H6  1  0.680  0.648  0.591  1.0
  H  H7  1  0.352  0.031  0.591  1.0
  H  H8  1  0.969  0.320  0.591  1.0
  H  H9  1  0.680  0.031  0.091  1.0
  H  H10  1  0.969  0.648  0.091  1.0
  H  H11  1  0.352  0.320  0.091  1.0
  H  H12  1  0.320  0.352  0.409  1.0
  H  H13  1  0.648  0.969  0.409  1.0
  H  H14  1  0.031  0.680  0.409  1.0
  H  H15  1  0.320  0.969  0.909  1.0
  H  H16  1  0.031  0.352  0.909  1.0
  H  H17  1  0.648  0.680  0.909  1.0
  H  H18  1  1.000  1.000  0.750  1.0
  H  H19  1  0.000  0.000  0.250  1.0
  H  H20  1  0.333  0.667  0.687  1.0
  H  H21  1  0.333  0.667  0.187  1.0
  H  H22  1  0.667  0.333  0.313  1.0
  H  H23  1  0.667  0.333  0.813  1.0
[/CIF]
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