The compound described by Rb2Ba6Sb5HO crystallizes in the tetragonal I4/mcm space group. Rb(1) is bonded in a 8-coordinate geometry to six equivalent Sb(1) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a single-bond geometry to two equivalent Sb(2), three equivalent Sb(1), and one O(1) atom. In the second Ba site, Ba(2) is bonded to four equivalent Sb(1) and one H(1) atom to form distorted corner-sharing BaSb4H square pyramids. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to three equivalent Rb(1), two equivalent Ba(2), three equivalent Ba(1), and one Sb(1) atom. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to eight equivalent Ba(1) atoms. H(1) is bonded in a linear geometry to two equivalent Ba(2) atoms. O(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. is represented by the CIF file [CIF]
data_Rb2Ba6Sb5HO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.578
_cell_length_b   15.578
_cell_length_c   15.578
_cell_angle_alpha   146.807
_cell_angle_beta   146.807
_cell_angle_gamma   47.650
_symmetry_Int_Tables_number   1
_cell_volume   1128.549
_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  0.667  0.167  0.835  1.0
  Rb  Rb1  1  0.333  0.833  0.165  1.0
  Rb  Rb2  1  0.167  0.333  0.500  1.0
  Rb  Rb3  1  0.833  0.667  0.500  1.0
  Ba  Ba4  1  0.465  0.965  0.817  1.0
  Ba  Ba5  1  0.148  0.648  0.183  1.0
  Ba  Ba6  1  0.965  0.148  0.500  1.0
  Ba  Ba7  1  0.648  0.465  0.500  1.0
  Ba  Ba8  1  0.535  0.035  0.183  1.0
  Ba  Ba9  1  0.852  0.352  0.817  1.0
  Ba  Ba10  1  0.035  0.852  0.500  1.0
  Ba  Ba11  1  0.352  0.535  0.500  1.0
  Ba  Ba12  1  0.407  0.407  0.000  1.0
  Ba  Ba13  1  0.907  0.907  0.000  1.0
  Ba  Ba14  1  0.593  0.593  0.000  1.0
  Ba  Ba15  1  0.093  0.093  0.000  1.0
  Sb  Sb16  1  0.013  0.513  0.731  1.0
  Sb  Sb17  1  0.782  0.282  0.269  1.0
  Sb  Sb18  1  0.513  0.782  0.500  1.0
  Sb  Sb19  1  0.282  0.013  0.500  1.0
  Sb  Sb20  1  0.987  0.487  0.269  1.0
  Sb  Sb21  1  0.218  0.718  0.731  1.0
  Sb  Sb22  1  0.487  0.218  0.500  1.0
  Sb  Sb23  1  0.718  0.987  0.500  1.0
  Sb  Sb24  1  0.250  0.250  0.000  1.0
  Sb  Sb25  1  0.750  0.750  0.000  1.0
  H  H26  1  0.500  0.500  0.000  1.0
  H  H27  1  0.000  0.000  0.000  1.0
  O  O28  1  0.250  0.750  0.500  1.0
  O  O29  1  0.750  0.250  0.500  1.0
[/CIF]
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The compound described by Rb2Ba6Sb5HO crystallizes in the tetragonal I4/mcm space group. Rb(1) is bonded in a 8-coordinate geometry to six equivalent Sb(1) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a single-bond geometry to two equivalent Sb(2), three equivalent Sb(1), and one O(1) atom. In the second Ba site, Ba(2) is bonded to four equivalent Sb(1) and one H(1) atom to form distorted corner-sharing BaSb4H square pyramids. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to three equivalent Rb(1), two equivalent Ba(2), three equivalent Ba(1), and one Sb(1) atom. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to eight equivalent Ba(1) atoms. H(1) is bonded in a linear geometry to two equivalent Ba(2) atoms. O(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. is represented by the CIF file [CIF]
data_Rb2Ba6Sb5HO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.578
_cell_length_b   15.578
_cell_length_c   15.578
_cell_angle_alpha   146.807
_cell_angle_beta   146.807
_cell_angle_gamma   47.650
_symmetry_Int_Tables_number   1
_cell_volume   1128.549
_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  0.667  0.167  0.835  1.0
  Rb  Rb1  1  0.333  0.833  0.165  1.0
  Rb  Rb2  1  0.167  0.333  0.500  1.0
  Rb  Rb3  1  0.833  0.667  0.500  1.0
  Ba  Ba4  1  0.465  0.965  0.817  1.0
  Ba  Ba5  1  0.148  0.648  0.183  1.0
  Ba  Ba6  1  0.965  0.148  0.500  1.0
  Ba  Ba7  1  0.648  0.465  0.500  1.0
  Ba  Ba8  1  0.535  0.035  0.183  1.0
  Ba  Ba9  1  0.852  0.352  0.817  1.0
  Ba  Ba10  1  0.035  0.852  0.500  1.0
  Ba  Ba11  1  0.352  0.535  0.500  1.0
  Ba  Ba12  1  0.407  0.407  0.000  1.0
  Ba  Ba13  1  0.907  0.907  0.000  1.0
  Ba  Ba14  1  0.593  0.593  0.000  1.0
  Ba  Ba15  1  0.093  0.093  0.000  1.0
  Sb  Sb16  1  0.013  0.513  0.731  1.0
  Sb  Sb17  1  0.782  0.282  0.269  1.0
  Sb  Sb18  1  0.513  0.782  0.500  1.0
  Sb  Sb19  1  0.282  0.013  0.500  1.0
  Sb  Sb20  1  0.987  0.487  0.269  1.0
  Sb  Sb21  1  0.218  0.718  0.731  1.0
  Sb  Sb22  1  0.487  0.218  0.500  1.0
  Sb  Sb23  1  0.718  0.987  0.500  1.0
  Sb  Sb24  1  0.250  0.250  0.000  1.0
  Sb  Sb25  1  0.750  0.750  0.000  1.0
  H  H26  1  0.500  0.500  0.000  1.0
  H  H27  1  0.000  0.000  0.000  1.0
  O  O28  1  0.250  0.750  0.500  1.0
  O  O29  1  0.750  0.250  0.500  1.0
[/CIF]
.