The structure described by RbBeH3 is Calcite-like structured and crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded to two equivalent H(1), two equivalent H(2), and two equivalent H(3) atoms to form corner-sharing RbH6 octahedra. The corner-sharing octahedral tilt angles range from 66-68°. 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 Rb(1) and one Be(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Be(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Be(1) atom. is represented by the CIF file [CIF]
data_RbBeH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.893
_cell_length_b   7.353
_cell_length_c   9.403
_cell_angle_alpha   73.824
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   391.337
_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
  Rb  Rb0  1  0.254  0.260  0.723  1.0
  Rb  Rb1  1  0.754  0.740  0.777  1.0
  Rb  Rb2  1  0.246  0.260  0.223  1.0
  Rb  Rb3  1  0.746  0.740  0.277  1.0
  Be  Be4  1  0.253  0.758  0.504  1.0
  Be  Be5  1  0.753  0.242  0.996  1.0
  Be  Be6  1  0.247  0.758  0.004  1.0
  Be  Be7  1  0.747  0.242  0.496  1.0
  H  H8  1  0.018  0.740  0.524  1.0
  H  H9  1  0.399  0.644  0.609  1.0
  H  H10  1  0.657  0.119  0.625  1.0
  H  H11  1  0.157  0.881  0.875  1.0
  H  H12  1  0.899  0.356  0.891  1.0
  H  H13  1  0.518  0.260  0.976  1.0
  H  H14  1  0.482  0.740  0.024  1.0
  H  H15  1  0.101  0.644  0.109  1.0
  H  H16  1  0.843  0.119  0.125  1.0
  H  H17  1  0.343  0.881  0.375  1.0
  H  H18  1  0.601  0.356  0.391  1.0
  H  H19  1  0.982  0.260  0.476  1.0
[/CIF]
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The structure described by RbBeH3 is Calcite-like structured and crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded to two equivalent H(1), two equivalent H(2), and two equivalent H(3) atoms to form corner-sharing RbH6 octahedra. The corner-sharing octahedral tilt angles range from 66-68°. 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 Rb(1) and one Be(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Be(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Be(1) atom. is represented by the CIF file [CIF]
data_RbBeH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.893
_cell_length_b   7.353
_cell_length_c   9.403
_cell_angle_alpha   73.824
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   391.337
_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
  Rb  Rb0  1  0.254  0.260  0.723  1.0
  Rb  Rb1  1  0.754  0.740  0.777  1.0
  Rb  Rb2  1  0.246  0.260  0.223  1.0
  Rb  Rb3  1  0.746  0.740  0.277  1.0
  Be  Be4  1  0.253  0.758  0.504  1.0
  Be  Be5  1  0.753  0.242  0.996  1.0
  Be  Be6  1  0.247  0.758  0.004  1.0
  Be  Be7  1  0.747  0.242  0.496  1.0
  H  H8  1  0.018  0.740  0.524  1.0
  H  H9  1  0.399  0.644  0.609  1.0
  H  H10  1  0.657  0.119  0.625  1.0
  H  H11  1  0.157  0.881  0.875  1.0
  H  H12  1  0.899  0.356  0.891  1.0
  H  H13  1  0.518  0.260  0.976  1.0
  H  H14  1  0.482  0.740  0.024  1.0
  H  H15  1  0.101  0.644  0.109  1.0
  H  H16  1  0.843  0.119  0.125  1.0
  H  H17  1  0.343  0.881  0.375  1.0
  H  H18  1  0.601  0.356  0.391  1.0
  H  H19  1  0.982  0.260  0.476  1.0
[/CIF]
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