The structure described by LiMn3H6(SeO3)8 crystallizes in the trigonal R-3 space group. Li(1) is bonded in an octahedral geometry to six equivalent O(4) atoms. Mn(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. H(1) is bonded in a single-bond geometry to one O(2) and one O(4) atom. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. In the second Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(2) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one H(1), and one Se(2) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one H(1), and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn3H6(SeO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.273
_cell_length_b   8.273
_cell_length_c   8.273
_cell_angle_alpha   86.154
_cell_angle_beta   86.154
_cell_angle_gamma   86.154
_symmetry_Int_Tables_number   1
_cell_volume   562.606
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  H  H4  1  0.075  0.998  0.655  1.0
  H  H5  1  0.655  0.075  0.998  1.0
  H  H6  1  0.998  0.655  0.075  1.0
  H  H7  1  0.925  0.002  0.345  1.0
  H  H8  1  0.345  0.925  0.002  1.0
  H  H9  1  0.002  0.345  0.925  1.0
  Se  Se10  1  0.330  0.330  0.330  1.0
  Se  Se11  1  0.670  0.670  0.670  1.0
  Se  Se12  1  0.843  0.168  0.629  1.0
  Se  Se13  1  0.629  0.843  0.168  1.0
  Se  Se14  1  0.168  0.629  0.843  1.0
  Se  Se15  1  0.157  0.832  0.371  1.0
  Se  Se16  1  0.371  0.157  0.832  1.0
  Se  Se17  1  0.832  0.371  0.157  1.0
  O  O18  1  0.233  0.485  0.438  1.0
  O  O19  1  0.438  0.233  0.485  1.0
  O  O20  1  0.485  0.438  0.233  1.0
  O  O21  1  0.767  0.515  0.562  1.0
  O  O22  1  0.562  0.767  0.515  1.0
  O  O23  1  0.515  0.562  0.767  1.0
  O  O24  1  0.776  0.049  0.491  1.0
  O  O25  1  0.491  0.776  0.049  1.0
  O  O26  1  0.049  0.491  0.776  1.0
  O  O27  1  0.224  0.951  0.509  1.0
  O  O28  1  0.509  0.224  0.951  1.0
  O  O29  1  0.951  0.509  0.224  1.0
  O  O30  1  0.988  0.267  0.507  1.0
  O  O31  1  0.507  0.988  0.267  1.0
  O  O32  1  0.267  0.507  0.988  1.0
  O  O33  1  0.012  0.733  0.493  1.0
  O  O34  1  0.493  0.012  0.733  1.0
  O  O35  1  0.733  0.493  0.012  1.0
  O  O36  1  0.985  0.032  0.737  1.0
  O  O37  1  0.737  0.985  0.032  1.0
  O  O38  1  0.032  0.737  0.985  1.0
  O  O39  1  0.015  0.968  0.263  1.0
  O  O40  1  0.263  0.015  0.968  1.0
  O  O41  1  0.968  0.263  0.015  1.0
[/CIF]
.
The structure described by LiMn3H6(SeO3)8 crystallizes in the trigonal R-3 space group. Li(1) is bonded in an octahedral geometry to six equivalent O(4) atoms. Mn(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. H(1) is bonded in a single-bond geometry to one O(2) and one O(4) atom. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. In the second Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(2) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one H(1), and one Se(2) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one H(1), and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn3H6(SeO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.273
_cell_length_b   8.273
_cell_length_c   8.273
_cell_angle_alpha   86.154
_cell_angle_beta   86.154
_cell_angle_gamma   86.154
_symmetry_Int_Tables_number   1
_cell_volume   562.606
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  H  H4  1  0.075  0.998  0.655  1.0
  H  H5  1  0.655  0.075  0.998  1.0
  H  H6  1  0.998  0.655  0.075  1.0
  H  H7  1  0.925  0.002  0.345  1.0
  H  H8  1  0.345  0.925  0.002  1.0
  H  H9  1  0.002  0.345  0.925  1.0
  Se  Se10  1  0.330  0.330  0.330  1.0
  Se  Se11  1  0.670  0.670  0.670  1.0
  Se  Se12  1  0.843  0.168  0.629  1.0
  Se  Se13  1  0.629  0.843  0.168  1.0
  Se  Se14  1  0.168  0.629  0.843  1.0
  Se  Se15  1  0.157  0.832  0.371  1.0
  Se  Se16  1  0.371  0.157  0.832  1.0
  Se  Se17  1  0.832  0.371  0.157  1.0
  O  O18  1  0.233  0.485  0.438  1.0
  O  O19  1  0.438  0.233  0.485  1.0
  O  O20  1  0.485  0.438  0.233  1.0
  O  O21  1  0.767  0.515  0.562  1.0
  O  O22  1  0.562  0.767  0.515  1.0
  O  O23  1  0.515  0.562  0.767  1.0
  O  O24  1  0.776  0.049  0.491  1.0
  O  O25  1  0.491  0.776  0.049  1.0
  O  O26  1  0.049  0.491  0.776  1.0
  O  O27  1  0.224  0.951  0.509  1.0
  O  O28  1  0.509  0.224  0.951  1.0
  O  O29  1  0.951  0.509  0.224  1.0
  O  O30  1  0.988  0.267  0.507  1.0
  O  O31  1  0.507  0.988  0.267  1.0
  O  O32  1  0.267  0.507  0.988  1.0
  O  O33  1  0.012  0.733  0.493  1.0
  O  O34  1  0.493  0.012  0.733  1.0
  O  O35  1  0.733  0.493  0.012  1.0
  O  O36  1  0.985  0.032  0.737  1.0
  O  O37  1  0.737  0.985  0.032  1.0
  O  O38  1  0.032  0.737  0.985  1.0
  O  O39  1  0.015  0.968  0.263  1.0
  O  O40  1  0.263  0.015  0.968  1.0
  O  O41  1  0.968  0.263  0.015  1.0
[/CIF]
.