The compound described by KBH4 crystallizes in the orthorhombic Pmmn space group. K(1) is bonded in a 12-coordinate geometry to six equivalent H(1) and six equivalent H(2) atoms. B(1) is bonded in a tetrahedral geometry to two equivalent H(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to three equivalent K(1) and one B(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to three equivalent K(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.663
_cell_length_b   9.298
_cell_length_c   8.035
_cell_angle_alpha   30.206
_cell_angle_beta   54.589
_cell_angle_gamma   59.947
_symmetry_Int_Tables_number   1
_cell_volume   142.852
_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
  K  K0  1  0.000  1.000  0.000  1.0
  K  K1  1  1.000  0.500  1.000  1.0
  B  B2  1  0.501  0.500  0.500  1.0
  B  B3  1  0.499  0.000  0.500  1.0
  H  H4  1  0.393  0.000  0.392  1.0
  H  H5  1  0.391  0.214  0.394  1.0
  H  H6  1  0.822  0.000  0.392  1.0
  H  H7  1  0.178  0.500  0.608  1.0
  H  H8  1  0.609  0.286  0.606  1.0
  H  H9  1  0.609  0.714  0.178  1.0
  H  H10  1  0.607  0.500  0.608  1.0
  H  H11  1  0.391  0.786  0.822  1.0
[/CIF]
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The compound described by KBH4 crystallizes in the orthorhombic Pmmn space group. K(1) is bonded in a 12-coordinate geometry to six equivalent H(1) and six equivalent H(2) atoms. B(1) is bonded in a tetrahedral geometry to two equivalent H(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to three equivalent K(1) and one B(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to three equivalent K(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.663
_cell_length_b   9.298
_cell_length_c   8.035
_cell_angle_alpha   30.206
_cell_angle_beta   54.589
_cell_angle_gamma   59.947
_symmetry_Int_Tables_number   1
_cell_volume   142.852
_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
  K  K0  1  0.000  1.000  0.000  1.0
  K  K1  1  1.000  0.500  1.000  1.0
  B  B2  1  0.501  0.500  0.500  1.0
  B  B3  1  0.499  0.000  0.500  1.0
  H  H4  1  0.393  0.000  0.392  1.0
  H  H5  1  0.391  0.214  0.394  1.0
  H  H6  1  0.822  0.000  0.392  1.0
  H  H7  1  0.178  0.500  0.608  1.0
  H  H8  1  0.609  0.286  0.606  1.0
  H  H9  1  0.609  0.714  0.178  1.0
  H  H10  1  0.607  0.500  0.608  1.0
  H  H11  1  0.391  0.786  0.822  1.0
[/CIF]
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