The compound described by Li3BiH8O7 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 7-coordinate geometry to one H(2), one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a 7-coordinate geometry to one H(3), one O(2), one O(3), one O(6), one O(7), and two equivalent O(5) atoms. Bi(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form distorted edge-sharing BiO5 square pyramids. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Li(2) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Li(3) and one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(4) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(2), one H(1), and one H(4) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one Bi(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Li(1), one Li(3), two equivalent Li(2), one Bi(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Li(1), one H(1), and one H(5) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), one Bi(1), and one H(6) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), and two equivalent Bi(1) atoms. In the seventh O site, O(7) is bonded in a water-like geometry to one Li(3), one H(7), and one H(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3BiH8O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.468
_cell_length_b   7.068
_cell_length_c   8.054
_cell_angle_alpha   92.587
_cell_angle_beta   91.354
_cell_angle_gamma   115.796
_symmetry_Int_Tables_number   1
_cell_volume   330.802
_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
  Li  Li0  1  0.025  0.342  0.386  1.0
  Li  Li1  1  0.323  0.838  0.370  1.0
  Li  Li2  1  0.212  0.110  0.600  1.0
  Li  Li3  1  0.788  0.890  0.400  1.0
  Li  Li4  1  0.677  0.162  0.630  1.0
  Li  Li5  1  0.975  0.658  0.614  1.0
  Bi  Bi6  1  0.464  0.621  0.679  1.0
  Bi  Bi7  1  0.536  0.379  0.321  1.0
  H  H8  1  0.985  0.318  0.032  1.0
  H  H9  1  0.016  0.335  0.741  1.0
  H  H10  1  0.321  0.934  0.756  1.0
  H  H11  1  0.379  0.834  0.066  1.0
  H  H12  1  0.178  0.547  0.101  1.0
  H  H13  1  0.126  0.033  0.256  1.0
  H  H14  1  0.214  0.027  0.970  1.0
  H  H15  1  0.237  0.258  0.963  1.0
  H  H16  1  0.763  0.742  0.037  1.0
  H  H17  1  0.786  0.973  0.030  1.0
  H  H18  1  0.874  0.967  0.744  1.0
  H  H19  1  0.822  0.453  0.899  1.0
  H  H20  1  0.621  0.166  0.934  1.0
  H  H21  1  0.679  0.066  0.244  1.0
  H  H22  1  0.984  0.665  0.259  1.0
  H  H23  1  0.015  0.682  0.968  1.0
  O  O24  1  0.227  0.816  0.099  1.0
  O  O25  1  0.070  0.391  0.632  1.0
  O  O26  1  0.322  0.881  0.643  1.0
  O  O27  1  0.137  0.393  0.100  1.0
  O  O28  1  0.163  0.114  0.363  1.0
  O  O29  1  0.448  0.638  0.416  1.0
  O  O30  1  0.250  0.144  0.894  1.0
  O  O31  1  0.750  0.856  0.106  1.0
  O  O32  1  0.552  0.362  0.584  1.0
  O  O33  1  0.837  0.886  0.637  1.0
  O  O34  1  0.863  0.607  0.900  1.0
  O  O35  1  0.678  0.119  0.357  1.0
  O  O36  1  0.930  0.609  0.368  1.0
  O  O37  1  0.773  0.184  0.901  1.0
[/CIF]
.
The compound described by Li3BiH8O7 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 7-coordinate geometry to one H(2), one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a 7-coordinate geometry to one H(3), one O(2), one O(3), one O(6), one O(7), and two equivalent O(5) atoms. Bi(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form distorted edge-sharing BiO5 square pyramids. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Li(2) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Li(3) and one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(4) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(2), one H(1), and one H(4) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one Bi(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Li(1), one Li(3), two equivalent Li(2), one Bi(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Li(1), one H(1), and one H(5) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), one Bi(1), and one H(6) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), and two equivalent Bi(1) atoms. In the seventh O site, O(7) is bonded in a water-like geometry to one Li(3), one H(7), and one H(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3BiH8O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.468
_cell_length_b   7.068
_cell_length_c   8.054
_cell_angle_alpha   92.587
_cell_angle_beta   91.354
_cell_angle_gamma   115.796
_symmetry_Int_Tables_number   1
_cell_volume   330.802
_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
  Li  Li0  1  0.025  0.342  0.386  1.0
  Li  Li1  1  0.323  0.838  0.370  1.0
  Li  Li2  1  0.212  0.110  0.600  1.0
  Li  Li3  1  0.788  0.890  0.400  1.0
  Li  Li4  1  0.677  0.162  0.630  1.0
  Li  Li5  1  0.975  0.658  0.614  1.0
  Bi  Bi6  1  0.464  0.621  0.679  1.0
  Bi  Bi7  1  0.536  0.379  0.321  1.0
  H  H8  1  0.985  0.318  0.032  1.0
  H  H9  1  0.016  0.335  0.741  1.0
  H  H10  1  0.321  0.934  0.756  1.0
  H  H11  1  0.379  0.834  0.066  1.0
  H  H12  1  0.178  0.547  0.101  1.0
  H  H13  1  0.126  0.033  0.256  1.0
  H  H14  1  0.214  0.027  0.970  1.0
  H  H15  1  0.237  0.258  0.963  1.0
  H  H16  1  0.763  0.742  0.037  1.0
  H  H17  1  0.786  0.973  0.030  1.0
  H  H18  1  0.874  0.967  0.744  1.0
  H  H19  1  0.822  0.453  0.899  1.0
  H  H20  1  0.621  0.166  0.934  1.0
  H  H21  1  0.679  0.066  0.244  1.0
  H  H22  1  0.984  0.665  0.259  1.0
  H  H23  1  0.015  0.682  0.968  1.0
  O  O24  1  0.227  0.816  0.099  1.0
  O  O25  1  0.070  0.391  0.632  1.0
  O  O26  1  0.322  0.881  0.643  1.0
  O  O27  1  0.137  0.393  0.100  1.0
  O  O28  1  0.163  0.114  0.363  1.0
  O  O29  1  0.448  0.638  0.416  1.0
  O  O30  1  0.250  0.144  0.894  1.0
  O  O31  1  0.750  0.856  0.106  1.0
  O  O32  1  0.552  0.362  0.584  1.0
  O  O33  1  0.837  0.886  0.637  1.0
  O  O34  1  0.863  0.607  0.900  1.0
  O  O35  1  0.678  0.119  0.357  1.0
  O  O36  1  0.930  0.609  0.368  1.0
  O  O37  1  0.773  0.184  0.901  1.0
[/CIF]
.