The material described by MnH4S(NO2)2 crystallizes in the orthorhombic Pccn space group. Mn(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form MnN2O4 octahedra that share corners with four equivalent S(1)O4 tetrahedra. N(1) is bonded in a distorted water-like geometry to one Mn(1), one H(1), and one H(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with four equivalent Mn(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 34-46°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one S(1) atom. is represented by the CIF file [CIF]
data_MnH4S(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.699
_cell_length_b   7.998
_cell_length_c   9.190
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   492.347
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  H  H4  1  0.304  0.376  0.676  1.0
  H  H5  1  0.196  0.124  0.676  1.0
  H  H6  1  0.804  0.624  0.824  1.0
  H  H7  1  0.696  0.876  0.824  1.0
  H  H8  1  0.696  0.624  0.324  1.0
  H  H9  1  0.804  0.876  0.324  1.0
  H  H10  1  0.196  0.376  0.176  1.0
  H  H11  1  0.304  0.124  0.176  1.0
  H  H12  1  0.381  0.366  0.507  1.0
  H  H13  1  0.119  0.134  0.507  1.0
  H  H14  1  0.881  0.634  0.993  1.0
  H  H15  1  0.619  0.866  0.993  1.0
  H  H16  1  0.619  0.634  0.493  1.0
  H  H17  1  0.881  0.866  0.493  1.0
  H  H18  1  0.119  0.366  0.007  1.0
  H  H19  1  0.381  0.134  0.007  1.0
  S  S20  1  0.750  0.250  0.760  1.0
  S  S21  1  0.250  0.750  0.740  1.0
  S  S22  1  0.250  0.750  0.240  1.0
  S  S23  1  0.750  0.250  0.260  1.0
  N  N24  1  0.261  0.341  0.573  1.0
  N  N25  1  0.239  0.159  0.573  1.0
  N  N26  1  0.761  0.659  0.927  1.0
  N  N27  1  0.739  0.841  0.927  1.0
  N  N28  1  0.739  0.659  0.427  1.0
  N  N29  1  0.761  0.841  0.427  1.0
  N  N30  1  0.239  0.341  0.073  1.0
  N  N31  1  0.261  0.159  0.073  1.0
  O  O32  1  0.927  0.208  0.852  1.0
  O  O33  1  0.573  0.292  0.852  1.0
  O  O34  1  0.427  0.792  0.648  1.0
  O  O35  1  0.073  0.708  0.648  1.0
  O  O36  1  0.073  0.792  0.148  1.0
  O  O37  1  0.427  0.708  0.148  1.0
  O  O38  1  0.573  0.208  0.352  1.0
  O  O39  1  0.927  0.292  0.352  1.0
  O  O40  1  0.800  0.398  0.668  1.0
  O  O41  1  0.700  0.102  0.668  1.0
  O  O42  1  0.300  0.602  0.832  1.0
  O  O43  1  0.200  0.898  0.832  1.0
  O  O44  1  0.200  0.602  0.332  1.0
  O  O45  1  0.300  0.898  0.332  1.0
  O  O46  1  0.700  0.398  0.168  1.0
  O  O47  1  0.800  0.102  0.168  1.0
[/CIF]
.
The material described by MnH4S(NO2)2 crystallizes in the orthorhombic Pccn space group. Mn(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form MnN2O4 octahedra that share corners with four equivalent S(1)O4 tetrahedra. N(1) is bonded in a distorted water-like geometry to one Mn(1), one H(1), and one H(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with four equivalent Mn(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 34-46°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one S(1) atom. is represented by the CIF file [CIF]
data_MnH4S(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.699
_cell_length_b   7.998
_cell_length_c   9.190
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   492.347
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  H  H4  1  0.304  0.376  0.676  1.0
  H  H5  1  0.196  0.124  0.676  1.0
  H  H6  1  0.804  0.624  0.824  1.0
  H  H7  1  0.696  0.876  0.824  1.0
  H  H8  1  0.696  0.624  0.324  1.0
  H  H9  1  0.804  0.876  0.324  1.0
  H  H10  1  0.196  0.376  0.176  1.0
  H  H11  1  0.304  0.124  0.176  1.0
  H  H12  1  0.381  0.366  0.507  1.0
  H  H13  1  0.119  0.134  0.507  1.0
  H  H14  1  0.881  0.634  0.993  1.0
  H  H15  1  0.619  0.866  0.993  1.0
  H  H16  1  0.619  0.634  0.493  1.0
  H  H17  1  0.881  0.866  0.493  1.0
  H  H18  1  0.119  0.366  0.007  1.0
  H  H19  1  0.381  0.134  0.007  1.0
  S  S20  1  0.750  0.250  0.760  1.0
  S  S21  1  0.250  0.750  0.740  1.0
  S  S22  1  0.250  0.750  0.240  1.0
  S  S23  1  0.750  0.250  0.260  1.0
  N  N24  1  0.261  0.341  0.573  1.0
  N  N25  1  0.239  0.159  0.573  1.0
  N  N26  1  0.761  0.659  0.927  1.0
  N  N27  1  0.739  0.841  0.927  1.0
  N  N28  1  0.739  0.659  0.427  1.0
  N  N29  1  0.761  0.841  0.427  1.0
  N  N30  1  0.239  0.341  0.073  1.0
  N  N31  1  0.261  0.159  0.073  1.0
  O  O32  1  0.927  0.208  0.852  1.0
  O  O33  1  0.573  0.292  0.852  1.0
  O  O34  1  0.427  0.792  0.648  1.0
  O  O35  1  0.073  0.708  0.648  1.0
  O  O36  1  0.073  0.792  0.148  1.0
  O  O37  1  0.427  0.708  0.148  1.0
  O  O38  1  0.573  0.208  0.352  1.0
  O  O39  1  0.927  0.292  0.352  1.0
  O  O40  1  0.800  0.398  0.668  1.0
  O  O41  1  0.700  0.102  0.668  1.0
  O  O42  1  0.300  0.602  0.832  1.0
  O  O43  1  0.200  0.898  0.832  1.0
  O  O44  1  0.200  0.602  0.332  1.0
  O  O45  1  0.300  0.898  0.332  1.0
  O  O46  1  0.700  0.398  0.168  1.0
  O  O47  1  0.800  0.102  0.168  1.0
[/CIF]
.