The compound described by MnOSO4 crystallizes in the monoclinic C2/c space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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 39°. S(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form SO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-49°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one S(1) atom. is represented by the CIF card [CIF]
data_MnSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.335
_cell_length_b   5.335
_cell_length_c   7.424
_cell_angle_alpha   70.012
_cell_angle_beta   109.988
_cell_angle_gamma   80.391
_symmetry_Int_Tables_number   1
_cell_volume   176.700
_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  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  S  S2  1  0.914  0.914  0.750  1.0
  S  S3  1  0.086  0.086  0.250  1.0
  O  O4  1  0.325  0.325  0.750  1.0
  O  O5  1  0.675  0.675  0.250  1.0
  O  O6  1  0.227  0.808  0.875  1.0
  O  O7  1  0.808  0.227  0.625  1.0
  O  O8  1  0.773  0.192  0.125  1.0
  O  O9  1  0.192  0.773  0.375  1.0
  O  O10  1  0.837  0.778  0.605  1.0
  O  O11  1  0.778  0.837  0.895  1.0
  O  O12  1  0.163  0.222  0.395  1.0
  O  O13  1  0.222  0.163  0.105  1.0
[/CIF]
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The compound described by MnOSO4 crystallizes in the monoclinic C2/c space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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 39°. S(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form SO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-49°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one S(1) atom. is represented by the CIF card [CIF]
data_MnSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.335
_cell_length_b   5.335
_cell_length_c   7.424
_cell_angle_alpha   70.012
_cell_angle_beta   109.988
_cell_angle_gamma   80.391
_symmetry_Int_Tables_number   1
_cell_volume   176.700
_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  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  S  S2  1  0.914  0.914  0.750  1.0
  S  S3  1  0.086  0.086  0.250  1.0
  O  O4  1  0.325  0.325  0.750  1.0
  O  O5  1  0.675  0.675  0.250  1.0
  O  O6  1  0.227  0.808  0.875  1.0
  O  O7  1  0.808  0.227  0.625  1.0
  O  O8  1  0.773  0.192  0.125  1.0
  O  O9  1  0.192  0.773  0.375  1.0
  O  O10  1  0.837  0.778  0.605  1.0
  O  O11  1  0.778  0.837  0.895  1.0
  O  O12  1  0.163  0.222  0.395  1.0
  O  O13  1  0.222  0.163  0.105  1.0
[/CIF]
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