The compound described by Cd(BH4)2 crystallizes in the tetragonal P4_2nm space group. Cd(1) is bonded in a 8-coordinate geometry to two equivalent H(2), two equivalent H(3), and four equivalent H(1) atoms. B(1) is bonded in a tetrahedral geometry to one H(2), one H(3), and two equivalent H(1) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one Cd(1) and one B(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one Cd(1) and one B(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Cd(1) and one B(1) atom. is represented by the CIF file [CIF]
data_Cd(BH4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.865
_cell_length_b   5.865
_cell_length_c   6.172
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.295
_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
  Cd  Cd0  1  0.500  0.500  0.491  1.0
  Cd  Cd1  1  0.000  0.000  0.991  1.0
  B  B2  1  0.236  0.764  0.730  1.0
  B  B3  1  0.764  0.236  0.730  1.0
  B  B4  1  0.736  0.736  0.230  1.0
  B  B5  1  0.264  0.264  0.230  1.0
  H  H6  1  0.046  0.698  0.786  1.0
  H  H7  1  0.954  0.302  0.786  1.0
  H  H8  1  0.546  0.802  0.286  1.0
  H  H9  1  0.454  0.198  0.286  1.0
  H  H10  1  0.302  0.954  0.786  1.0
  H  H11  1  0.698  0.046  0.786  1.0
  H  H12  1  0.802  0.546  0.286  1.0
  H  H13  1  0.198  0.454  0.286  1.0
  H  H14  1  0.372  0.628  0.809  1.0
  H  H15  1  0.628  0.372  0.809  1.0
  H  H16  1  0.872  0.872  0.309  1.0
  H  H17  1  0.128  0.128  0.309  1.0
  H  H18  1  0.222  0.778  0.534  1.0
  H  H19  1  0.778  0.222  0.534  1.0
  H  H20  1  0.722  0.722  0.034  1.0
  H  H21  1  0.278  0.278  0.034  1.0
[/CIF]
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The compound described by Cd(BH4)2 crystallizes in the tetragonal P4_2nm space group. Cd(1) is bonded in a 8-coordinate geometry to two equivalent H(2), two equivalent H(3), and four equivalent H(1) atoms. B(1) is bonded in a tetrahedral geometry to one H(2), one H(3), and two equivalent H(1) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one Cd(1) and one B(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one Cd(1) and one B(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Cd(1) and one B(1) atom. is represented by the CIF file [CIF]
data_Cd(BH4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.865
_cell_length_b   5.865
_cell_length_c   6.172
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.295
_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
  Cd  Cd0  1  0.500  0.500  0.491  1.0
  Cd  Cd1  1  0.000  0.000  0.991  1.0
  B  B2  1  0.236  0.764  0.730  1.0
  B  B3  1  0.764  0.236  0.730  1.0
  B  B4  1  0.736  0.736  0.230  1.0
  B  B5  1  0.264  0.264  0.230  1.0
  H  H6  1  0.046  0.698  0.786  1.0
  H  H7  1  0.954  0.302  0.786  1.0
  H  H8  1  0.546  0.802  0.286  1.0
  H  H9  1  0.454  0.198  0.286  1.0
  H  H10  1  0.302  0.954  0.786  1.0
  H  H11  1  0.698  0.046  0.786  1.0
  H  H12  1  0.802  0.546  0.286  1.0
  H  H13  1  0.198  0.454  0.286  1.0
  H  H14  1  0.372  0.628  0.809  1.0
  H  H15  1  0.628  0.372  0.809  1.0
  H  H16  1  0.872  0.872  0.309  1.0
  H  H17  1  0.128  0.128  0.309  1.0
  H  H18  1  0.222  0.778  0.534  1.0
  H  H19  1  0.778  0.222  0.534  1.0
  H  H20  1  0.722  0.722  0.034  1.0
  H  H21  1  0.278  0.278  0.034  1.0
[/CIF]
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