The crystal structure described by Na2MnH4(SO5)2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) 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(5) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-50°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted water-like geometry to one Na(1), one Mn(1), one H(1), and one H(2) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Na(1) and one S(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Mn(1), and one S(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Na(1), one Mn(1), and one S(1) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(1), one H(2), and one S(1) atom. is represented by the CIF file [CIF]
data_Na2MnH4(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.587
_cell_length_b   5.903
_cell_length_c   13.507
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.089
_symmetry_Int_Tables_number   1
_cell_volume   428.021
_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
  Na  Na0  1  0.762  0.582  0.385  1.0
  Na  Na1  1  0.738  0.418  0.885  1.0
  Na  Na2  1  0.238  0.418  0.615  1.0
  Na  Na3  1  0.262  0.582  0.115  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  H  H6  1  0.505  0.909  0.300  1.0
  H  H7  1  0.995  0.091  0.800  1.0
  H  H8  1  0.495  0.091  0.700  1.0
  H  H9  1  0.005  0.909  0.200  1.0
  H  H10  1  0.318  0.681  0.348  1.0
  H  H11  1  0.182  0.319  0.848  1.0
  H  H12  1  0.682  0.319  0.652  1.0
  H  H13  1  0.818  0.681  0.152  1.0
  S  S14  1  0.073  0.228  0.384  1.0
  S  S15  1  0.427  0.772  0.884  1.0
  S  S16  1  0.927  0.772  0.616  1.0
  S  S17  1  0.573  0.228  0.116  1.0
  O  O18  1  0.018  0.005  0.329  1.0
  O  O19  1  0.482  0.995  0.829  1.0
  O  O20  1  0.982  0.995  0.671  1.0
  O  O21  1  0.518  0.005  0.171  1.0
  O  O22  1  0.308  0.264  0.445  1.0
  O  O23  1  0.192  0.736  0.945  1.0
  O  O24  1  0.692  0.736  0.555  1.0
  O  O25  1  0.808  0.264  0.055  1.0
  O  O26  1  0.864  0.230  0.455  1.0
  O  O27  1  0.636  0.770  0.955  1.0
  O  O28  1  0.136  0.770  0.545  1.0
  O  O29  1  0.364  0.230  0.045  1.0
  O  O30  1  0.102  0.436  0.317  1.0
  O  O31  1  0.398  0.564  0.817  1.0
  O  O32  1  0.898  0.564  0.683  1.0
  O  O33  1  0.602  0.436  0.183  1.0
  O  O34  1  0.475  0.809  0.361  1.0
  O  O35  1  0.025  0.191  0.861  1.0
  O  O36  1  0.525  0.191  0.639  1.0
  O  O37  1  0.975  0.809  0.139  1.0
[/CIF]
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The crystal structure described by Na2MnH4(SO5)2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) 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(5) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-50°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted water-like geometry to one Na(1), one Mn(1), one H(1), and one H(2) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Na(1) and one S(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Mn(1), and one S(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Na(1), one Mn(1), and one S(1) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(1), one H(2), and one S(1) atom. is represented by the CIF file [CIF]
data_Na2MnH4(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.587
_cell_length_b   5.903
_cell_length_c   13.507
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.089
_symmetry_Int_Tables_number   1
_cell_volume   428.021
_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
  Na  Na0  1  0.762  0.582  0.385  1.0
  Na  Na1  1  0.738  0.418  0.885  1.0
  Na  Na2  1  0.238  0.418  0.615  1.0
  Na  Na3  1  0.262  0.582  0.115  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  H  H6  1  0.505  0.909  0.300  1.0
  H  H7  1  0.995  0.091  0.800  1.0
  H  H8  1  0.495  0.091  0.700  1.0
  H  H9  1  0.005  0.909  0.200  1.0
  H  H10  1  0.318  0.681  0.348  1.0
  H  H11  1  0.182  0.319  0.848  1.0
  H  H12  1  0.682  0.319  0.652  1.0
  H  H13  1  0.818  0.681  0.152  1.0
  S  S14  1  0.073  0.228  0.384  1.0
  S  S15  1  0.427  0.772  0.884  1.0
  S  S16  1  0.927  0.772  0.616  1.0
  S  S17  1  0.573  0.228  0.116  1.0
  O  O18  1  0.018  0.005  0.329  1.0
  O  O19  1  0.482  0.995  0.829  1.0
  O  O20  1  0.982  0.995  0.671  1.0
  O  O21  1  0.518  0.005  0.171  1.0
  O  O22  1  0.308  0.264  0.445  1.0
  O  O23  1  0.192  0.736  0.945  1.0
  O  O24  1  0.692  0.736  0.555  1.0
  O  O25  1  0.808  0.264  0.055  1.0
  O  O26  1  0.864  0.230  0.455  1.0
  O  O27  1  0.636  0.770  0.955  1.0
  O  O28  1  0.136  0.770  0.545  1.0
  O  O29  1  0.364  0.230  0.045  1.0
  O  O30  1  0.102  0.436  0.317  1.0
  O  O31  1  0.398  0.564  0.817  1.0
  O  O32  1  0.898  0.564  0.683  1.0
  O  O33  1  0.602  0.436  0.183  1.0
  O  O34  1  0.475  0.809  0.361  1.0
  O  O35  1  0.025  0.191  0.861  1.0
  O  O36  1  0.525  0.191  0.639  1.0
  O  O37  1  0.975  0.809  0.139  1.0
[/CIF]
.