The compound described by CsBeH3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded in a 9-coordinate geometry to three equivalent H(2) and six equivalent H(1) atoms. Be(1) is bonded in a trigonal planar geometry to one H(2) and two equivalent H(1) atoms. There are two inequivalent H sites. In the first H site, H(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Be(1) atom. In the second H site, H(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Be(1) atom. is represented by the CIF card [CIF]
data_CsBeH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.071
_cell_length_b   5.913
_cell_length_c   7.806
_cell_angle_alpha   90.000
_cell_angle_beta   108.864
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.480
_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
  Cs  Cs0  1  0.819  0.250  0.232  1.0
  Cs  Cs1  1  0.181  0.750  0.768  1.0
  Be  Be2  1  0.237  0.750  0.239  1.0
  Be  Be3  1  0.763  0.250  0.761  1.0
  H  H4  1  0.697  0.045  0.828  1.0
  H  H5  1  0.303  0.545  0.172  1.0
  H  H6  1  0.303  0.955  0.172  1.0
  H  H7  1  0.697  0.455  0.828  1.0
  H  H8  1  0.913  0.250  0.638  1.0
  H  H9  1  0.087  0.750  0.362  1.0
[/CIF]
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The compound described by CsBeH3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded in a 9-coordinate geometry to three equivalent H(2) and six equivalent H(1) atoms. Be(1) is bonded in a trigonal planar geometry to one H(2) and two equivalent H(1) atoms. There are two inequivalent H sites. In the first H site, H(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Be(1) atom. In the second H site, H(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Be(1) atom. is represented by the CIF card [CIF]
data_CsBeH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.071
_cell_length_b   5.913
_cell_length_c   7.806
_cell_angle_alpha   90.000
_cell_angle_beta   108.864
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.480
_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
  Cs  Cs0  1  0.819  0.250  0.232  1.0
  Cs  Cs1  1  0.181  0.750  0.768  1.0
  Be  Be2  1  0.237  0.750  0.239  1.0
  Be  Be3  1  0.763  0.250  0.761  1.0
  H  H4  1  0.697  0.045  0.828  1.0
  H  H5  1  0.303  0.545  0.172  1.0
  H  H6  1  0.303  0.955  0.172  1.0
  H  H7  1  0.697  0.455  0.828  1.0
  H  H8  1  0.913  0.250  0.638  1.0
  H  H9  1  0.087  0.750  0.362  1.0
[/CIF]
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