The material structure described by MnOSO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. S(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-51°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(2) and one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(2) and one S(1) atom. is represented by the CIF file [CIF]
data_MnSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.137
_cell_length_b   5.465
_cell_length_c   7.367
_cell_angle_alpha   110.844
_cell_angle_beta   108.820
_cell_angle_gamma   99.678
_symmetry_Int_Tables_number   1
_cell_volume   173.332
_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
  Mn  Mn0  1  1.000  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.000  1.000  1.0
  S  S2  1  0.088  0.927  0.248  1.0
  S  S3  1  0.912  0.073  0.752  1.0
  O  O4  1  0.667  0.326  0.255  1.0
  O  O5  1  0.333  0.674  0.745  1.0
  O  O6  1  0.761  0.822  0.130  1.0
  O  O7  1  0.196  0.232  0.367  1.0
  O  O8  1  0.239  0.178  0.871  1.0
  O  O9  1  0.804  0.768  0.633  1.0
  O  O10  1  0.166  0.790  0.386  1.0
  O  O11  1  0.210  0.839  0.084  1.0
  O  O12  1  0.834  0.210  0.614  1.0
  O  O13  1  0.790  0.161  0.916  1.0
[/CIF]
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The material structure described by MnOSO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. S(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-51°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(2) and one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(2) and one S(1) atom. is represented by the CIF file [CIF]
data_MnSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.137
_cell_length_b   5.465
_cell_length_c   7.367
_cell_angle_alpha   110.844
_cell_angle_beta   108.820
_cell_angle_gamma   99.678
_symmetry_Int_Tables_number   1
_cell_volume   173.332
_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
  Mn  Mn0  1  1.000  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.000  1.000  1.0
  S  S2  1  0.088  0.927  0.248  1.0
  S  S3  1  0.912  0.073  0.752  1.0
  O  O4  1  0.667  0.326  0.255  1.0
  O  O5  1  0.333  0.674  0.745  1.0
  O  O6  1  0.761  0.822  0.130  1.0
  O  O7  1  0.196  0.232  0.367  1.0
  O  O8  1  0.239  0.178  0.871  1.0
  O  O9  1  0.804  0.768  0.633  1.0
  O  O10  1  0.166  0.790  0.386  1.0
  O  O11  1  0.210  0.839  0.084  1.0
  O  O12  1  0.834  0.210  0.614  1.0
  O  O13  1  0.790  0.161  0.916  1.0
[/CIF]
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