The compound described by KBeH3 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to two equivalent H(1), two equivalent H(3), and three equivalent H(2) atoms. Be(1) is bonded in a trigonal planar geometry to one H(1), 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 Be(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Be(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Be(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBeH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.497
_cell_length_b   6.861
_cell_length_c   9.044
_cell_angle_alpha   74.109
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   328.104
_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  0.249  0.769  0.698  1.0
  K  K1  1  0.749  0.231  0.802  1.0
  K  K2  1  0.251  0.769  0.198  1.0
  K  K3  1  0.751  0.231  0.302  1.0
  Be  Be4  1  0.256  0.246  0.503  1.0
  Be  Be5  1  0.756  0.754  0.997  1.0
  Be  Be6  1  0.244  0.246  0.003  1.0
  Be  Be7  1  0.744  0.754  0.497  1.0
  H  H8  1  0.027  0.183  0.566  1.0
  H  H9  1  0.467  0.161  0.581  1.0
  H  H10  1  0.726  0.624  0.646  1.0
  H  H11  1  0.226  0.376  0.854  1.0
  H  H12  1  0.967  0.839  0.919  1.0
  H  H13  1  0.527  0.817  0.934  1.0
  H  H14  1  0.473  0.183  0.066  1.0
  H  H15  1  0.033  0.161  0.081  1.0
  H  H16  1  0.774  0.624  0.146  1.0
  H  H17  1  0.274  0.376  0.354  1.0
  H  H18  1  0.533  0.839  0.419  1.0
  H  H19  1  0.973  0.817  0.434  1.0
[/CIF]
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The compound described by KBeH3 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to two equivalent H(1), two equivalent H(3), and three equivalent H(2) atoms. Be(1) is bonded in a trigonal planar geometry to one H(1), 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 Be(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Be(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Be(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBeH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.497
_cell_length_b   6.861
_cell_length_c   9.044
_cell_angle_alpha   74.109
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   328.104
_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  0.249  0.769  0.698  1.0
  K  K1  1  0.749  0.231  0.802  1.0
  K  K2  1  0.251  0.769  0.198  1.0
  K  K3  1  0.751  0.231  0.302  1.0
  Be  Be4  1  0.256  0.246  0.503  1.0
  Be  Be5  1  0.756  0.754  0.997  1.0
  Be  Be6  1  0.244  0.246  0.003  1.0
  Be  Be7  1  0.744  0.754  0.497  1.0
  H  H8  1  0.027  0.183  0.566  1.0
  H  H9  1  0.467  0.161  0.581  1.0
  H  H10  1  0.726  0.624  0.646  1.0
  H  H11  1  0.226  0.376  0.854  1.0
  H  H12  1  0.967  0.839  0.919  1.0
  H  H13  1  0.527  0.817  0.934  1.0
  H  H14  1  0.473  0.183  0.066  1.0
  H  H15  1  0.033  0.161  0.081  1.0
  H  H16  1  0.774  0.624  0.146  1.0
  H  H17  1  0.274  0.376  0.354  1.0
  H  H18  1  0.533  0.839  0.419  1.0
  H  H19  1  0.973  0.817  0.434  1.0
[/CIF]
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