data_
_chemical_name_systematic          'Manganese Sulfate(VI) Tetrahydrate'
_chemical_formula_structural       'Mn (S O4) (H2 O)4'
_chemical_formula_sum              'H8 Mn1 O8 S1'
_chemical_name_mineral             Ilesite
_cell_length_a                     5.9753(1)
_cell_length_b                     13.8186(3)
_cell_length_c                     8.0461(1)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.826(2)
_cell_angle_gamma                  90.
_cell_volume                       664.31
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-x+1/2, y+1/2, -z+1/2'
  2	'-x, -y, -z'
  3	'x+1/2, -y+1/2, z+1/2'
  4	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
H1+   	1
Mn2+  	2
O2-   	-2
S6+   	6
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_U_iso_or_equiv
Mn1 Mn2+ 4 e 0.066(2) 0.106(1) 0.210(2) 1. 0 1.4(4)) 
S1 S6+ 4 e 0.195(3) 0.106(1) 0.823(2) 1. 0 0.2(5)
O1 O2- 4 e 0.008(2) 0.0512(7) 0.753(1) 1. 0 2.5(4)
O2 O2- 4 e 0.254(1) 0.0746(9) 0.992(1) 1. 0 2.8(3)
O3 O2- 4 e 0.392(2) 0.0967(9) 0.715(1) 1. 0 2.5(3)
O4 O2- 4 e 0.144(2) 0.2121(8) 0.820(1) 1. 0 2.6(3)
Ow1 O2- 4 e 0.375(2) 0.0739(9) 0.357(2) 1. 2 3.3(4) 
Ow2 O2- 4 e 0.760(2) 0.1397(9) 0.088(2) 1. 2 2.7(4)
Ow3 O2- 4 e 0.884(2) 0.1281(9) 0.444(2) 1. 2 2.7(3)
Ow4 O2- 4 e 0.180(2) 0.2521(8) 0.221(1) 1. 2 1.8(3)
D1a H1+ 4 e 0.376(2) 0.086(1) 0.475(2) 1. 0 6.1(5)
D1b H1+ 4 e 0.466(2) 0.0189(9) 0.334(1) 1. 0 3.0(3)
D2a H1+ 4 e 0.665(2) 0.1906(9) 0.147(2) 1. 0 6.1(4)
D2b H1+ 4 e 0.655(2) 0.096(1) 0.044(2) 1. 0 7.0(5)
D3a H1+ 4 e 0.801(2) 0.1870(9) 0.461(2) 1. 0 3.8(4)
D3b H1+ 4 e 0.912(2) 0.101(1) 0.550(2) 1. 0 4.3(4)
D4a H1+ 4 e 0.317(2) 0.267(8) 0.286(1) 1. 0 3.8(4)
D4b H1+ 4 e 0.589(2) 0.1910(8) 0.719(2) 1. 0 3.8(4)

#End of data


