The crystal structure described by RbBaSiHO4 crystallizes in the monoclinic P2_1 space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent H(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Ba(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted BaO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Ba(1)O6 octahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with six equivalent Ba(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-53°. H(1) is bonded in a single-bond geometry to two equivalent Rb(1) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Rb(1), two equivalent Ba(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Rb(1), two equivalent Ba(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(1), one Ba(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Ba(1), one Si(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbBaSiHO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.248
_cell_length_b   5.980
_cell_length_c   6.053
_cell_angle_alpha   61.905
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.361
_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
  Rb  Rb0  1  0.231  0.365  0.290  1.0
  Rb  Rb1  1  0.731  0.635  0.710  1.0
  Ba  Ba2  1  0.482  0.016  0.990  1.0
  Ba  Ba3  1  0.982  0.984  0.010  1.0
  Si  Si4  1  0.246  0.695  0.620  1.0
  Si  Si5  1  0.746  0.305  0.380  1.0
  H  H6  1  0.012  0.514  0.541  1.0
  H  H7  1  0.512  0.486  0.459  1.0
  O  O8  1  0.238  0.842  0.789  1.0
  O  O9  1  0.738  0.158  0.211  1.0
  O  O10  1  0.238  0.885  0.317  1.0
  O  O11  1  0.738  0.115  0.683  1.0
  O  O12  1  0.398  0.493  0.692  1.0
  O  O13  1  0.898  0.507  0.308  1.0
  O  O14  1  0.072  0.508  0.690  1.0
  O  O15  1  0.572  0.492  0.310  1.0
[/CIF]
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The crystal structure described by RbBaSiHO4 crystallizes in the monoclinic P2_1 space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent H(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Ba(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted BaO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Ba(1)O6 octahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with six equivalent Ba(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-53°. H(1) is bonded in a single-bond geometry to two equivalent Rb(1) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Rb(1), two equivalent Ba(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Rb(1), two equivalent Ba(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(1), one Ba(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Ba(1), one Si(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbBaSiHO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.248
_cell_length_b   5.980
_cell_length_c   6.053
_cell_angle_alpha   61.905
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.361
_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
  Rb  Rb0  1  0.231  0.365  0.290  1.0
  Rb  Rb1  1  0.731  0.635  0.710  1.0
  Ba  Ba2  1  0.482  0.016  0.990  1.0
  Ba  Ba3  1  0.982  0.984  0.010  1.0
  Si  Si4  1  0.246  0.695  0.620  1.0
  Si  Si5  1  0.746  0.305  0.380  1.0
  H  H6  1  0.012  0.514  0.541  1.0
  H  H7  1  0.512  0.486  0.459  1.0
  O  O8  1  0.238  0.842  0.789  1.0
  O  O9  1  0.738  0.158  0.211  1.0
  O  O10  1  0.238  0.885  0.317  1.0
  O  O11  1  0.738  0.115  0.683  1.0
  O  O12  1  0.398  0.493  0.692  1.0
  O  O13  1  0.898  0.507  0.308  1.0
  O  O14  1  0.072  0.508  0.690  1.0
  O  O15  1  0.572  0.492  0.310  1.0
[/CIF]
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