The compound described by Li2MnH4(SO5)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) and one O(5) atom. S(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form SO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one H(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Li(1), one Mn(1), one H(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(2), and one S(1) atom. is represented by the CIF file [CIF]
data_Li2MnH4(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.073
_cell_length_b   5.485
_cell_length_c   5.504
_cell_angle_alpha   79.212
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   387.669
_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  0.113  0.270  0.403  1.0
  Li  Li1  1  0.387  0.770  0.403  1.0
  Li  Li2  1  0.613  0.230  0.597  1.0
  Li  Li3  1  0.887  0.730  0.597  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  H  H6  1  0.293  0.522  0.108  1.0
  H  H7  1  0.207  0.022  0.108  1.0
  H  H8  1  0.343  0.332  0.328  1.0
  H  H9  1  0.157  0.832  0.328  1.0
  H  H10  1  0.843  0.168  0.672  1.0
  H  H11  1  0.657  0.668  0.672  1.0
  H  H12  1  0.793  0.978  0.892  1.0
  H  H13  1  0.707  0.478  0.892  1.0
  S  S14  1  0.884  0.447  0.241  1.0
  S  S15  1  0.616  0.947  0.241  1.0
  S  S16  1  0.384  0.053  0.759  1.0
  S  S17  1  0.116  0.553  0.759  1.0
  O  O18  1  0.330  0.017  0.998  1.0
  O  O19  1  0.170  0.517  0.998  1.0
  O  O20  1  0.549  0.168  0.256  1.0
  O  O21  1  0.356  0.493  0.212  1.0
  O  O22  1  0.950  0.219  0.272  1.0
  O  O23  1  0.951  0.668  0.256  1.0
  O  O24  1  0.144  0.993  0.212  1.0
  O  O25  1  0.550  0.719  0.272  1.0
  O  O26  1  0.813  0.424  0.457  1.0
  O  O27  1  0.313  0.076  0.543  1.0
  O  O28  1  0.687  0.924  0.457  1.0
  O  O29  1  0.187  0.576  0.543  1.0
  O  O30  1  0.450  0.281  0.728  1.0
  O  O31  1  0.856  0.007  0.788  1.0
  O  O32  1  0.049  0.332  0.744  1.0
  O  O33  1  0.050  0.781  0.728  1.0
  O  O34  1  0.644  0.507  0.788  1.0
  O  O35  1  0.451  0.832  0.744  1.0
  O  O36  1  0.830  0.483  0.002  1.0
  O  O37  1  0.670  0.983  0.002  1.0
[/CIF]
.
The compound described by Li2MnH4(SO5)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) and one O(5) atom. S(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form SO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one H(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Li(1), one Mn(1), one H(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(2), and one S(1) atom. is represented by the CIF file [CIF]
data_Li2MnH4(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.073
_cell_length_b   5.485
_cell_length_c   5.504
_cell_angle_alpha   79.212
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   387.669
_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  0.113  0.270  0.403  1.0
  Li  Li1  1  0.387  0.770  0.403  1.0
  Li  Li2  1  0.613  0.230  0.597  1.0
  Li  Li3  1  0.887  0.730  0.597  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  H  H6  1  0.293  0.522  0.108  1.0
  H  H7  1  0.207  0.022  0.108  1.0
  H  H8  1  0.343  0.332  0.328  1.0
  H  H9  1  0.157  0.832  0.328  1.0
  H  H10  1  0.843  0.168  0.672  1.0
  H  H11  1  0.657  0.668  0.672  1.0
  H  H12  1  0.793  0.978  0.892  1.0
  H  H13  1  0.707  0.478  0.892  1.0
  S  S14  1  0.884  0.447  0.241  1.0
  S  S15  1  0.616  0.947  0.241  1.0
  S  S16  1  0.384  0.053  0.759  1.0
  S  S17  1  0.116  0.553  0.759  1.0
  O  O18  1  0.330  0.017  0.998  1.0
  O  O19  1  0.170  0.517  0.998  1.0
  O  O20  1  0.549  0.168  0.256  1.0
  O  O21  1  0.356  0.493  0.212  1.0
  O  O22  1  0.950  0.219  0.272  1.0
  O  O23  1  0.951  0.668  0.256  1.0
  O  O24  1  0.144  0.993  0.212  1.0
  O  O25  1  0.550  0.719  0.272  1.0
  O  O26  1  0.813  0.424  0.457  1.0
  O  O27  1  0.313  0.076  0.543  1.0
  O  O28  1  0.687  0.924  0.457  1.0
  O  O29  1  0.187  0.576  0.543  1.0
  O  O30  1  0.450  0.281  0.728  1.0
  O  O31  1  0.856  0.007  0.788  1.0
  O  O32  1  0.049  0.332  0.744  1.0
  O  O33  1  0.050  0.781  0.728  1.0
  O  O34  1  0.644  0.507  0.788  1.0
  O  O35  1  0.451  0.832  0.744  1.0
  O  O36  1  0.830  0.483  0.002  1.0
  O  O37  1  0.670  0.983  0.002  1.0
[/CIF]
.