The compound described by KBH4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 11-coordinate geometry to three equivalent H(3), four equivalent H(1), and four equivalent H(2) atoms. B(1) is bonded in a distorted water-like geometry to one H(2) and one H(3) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one H(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one B(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to three equivalent K(1) and one B(1) atom. is represented by the CIF file [CIF]
data_KBH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.412
_cell_length_b   8.161
_cell_length_c   8.818
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.502
_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
  K  K0  1  0.750  0.246  0.260  1.0
  K  K1  1  0.250  0.754  0.740  1.0
  K  K2  1  0.250  0.254  0.760  1.0
  K  K3  1  0.750  0.746  0.240  1.0
  B  B4  1  0.750  0.971  0.961  1.0
  B  B5  1  0.250  0.029  0.039  1.0
  B  B6  1  0.250  0.529  0.461  1.0
  B  B7  1  0.750  0.471  0.539  1.0
  H  H8  1  0.360  0.607  0.007  1.0
  H  H9  1  0.860  0.393  0.993  1.0
  H  H10  1  0.640  0.893  0.507  1.0
  H  H11  1  0.140  0.107  0.493  1.0
  H  H12  1  0.640  0.393  0.993  1.0
  H  H13  1  0.140  0.607  0.007  1.0
  H  H14  1  0.360  0.107  0.493  1.0
  H  H15  1  0.860  0.893  0.507  1.0
  H  H16  1  0.750  0.506  0.682  1.0
  H  H17  1  0.250  0.494  0.318  1.0
  H  H18  1  0.250  0.994  0.182  1.0
  H  H19  1  0.750  0.006  0.818  1.0
  H  H20  1  0.750  0.814  0.951  1.0
  H  H21  1  0.250  0.186  0.049  1.0
  H  H22  1  0.250  0.686  0.451  1.0
  H  H23  1  0.750  0.314  0.549  1.0
[/CIF]
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The compound described by KBH4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 11-coordinate geometry to three equivalent H(3), four equivalent H(1), and four equivalent H(2) atoms. B(1) is bonded in a distorted water-like geometry to one H(2) and one H(3) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one H(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one B(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to three equivalent K(1) and one B(1) atom. is represented by the CIF file [CIF]
data_KBH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.412
_cell_length_b   8.161
_cell_length_c   8.818
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.502
_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
  K  K0  1  0.750  0.246  0.260  1.0
  K  K1  1  0.250  0.754  0.740  1.0
  K  K2  1  0.250  0.254  0.760  1.0
  K  K3  1  0.750  0.746  0.240  1.0
  B  B4  1  0.750  0.971  0.961  1.0
  B  B5  1  0.250  0.029  0.039  1.0
  B  B6  1  0.250  0.529  0.461  1.0
  B  B7  1  0.750  0.471  0.539  1.0
  H  H8  1  0.360  0.607  0.007  1.0
  H  H9  1  0.860  0.393  0.993  1.0
  H  H10  1  0.640  0.893  0.507  1.0
  H  H11  1  0.140  0.107  0.493  1.0
  H  H12  1  0.640  0.393  0.993  1.0
  H  H13  1  0.140  0.607  0.007  1.0
  H  H14  1  0.360  0.107  0.493  1.0
  H  H15  1  0.860  0.893  0.507  1.0
  H  H16  1  0.750  0.506  0.682  1.0
  H  H17  1  0.250  0.494  0.318  1.0
  H  H18  1  0.250  0.994  0.182  1.0
  H  H19  1  0.750  0.006  0.818  1.0
  H  H20  1  0.750  0.814  0.951  1.0
  H  H21  1  0.250  0.186  0.049  1.0
  H  H22  1  0.250  0.686  0.451  1.0
  H  H23  1  0.750  0.314  0.549  1.0
[/CIF]
.