data_global
_chemical_name_mineral 'Ilesite'
loop_
_publ_author_name
'Anderson J L'
'Peterson R C'
'Swainson I'
_journal_name_full 'American Mineralogist'
_journal_volume 97 
_journal_year 2012
_journal_page_first 1905
_journal_page_last 1914
_publ_section_title
;
 The atomic structure of deuterated boyleite ZnSO4*4D2O,
 ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O
;
_database_code_amcsd 0019608
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mn S O8 H8'
_cell_length_a 5.9753
_cell_length_b 13.8186
_cell_length_c 8.0461
_cell_angle_alpha 90
_cell_angle_beta 90.826
_cell_angle_gamma 90
_cell_volume 664.300
_exptl_crystal_density_diffrn      2.230
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn   0.06600   0.10600   0.21000   0.01400
S   0.19500   0.10600   0.82300   0.00200
O1   0.00800   0.05120   0.75300   0.02500
O2   0.25400   0.07460   0.99200   0.02800
O3   0.39200   0.09670   0.71500   0.02500
O4   0.14400   0.21210   0.82000   0.02600
Ow1   0.37500   0.07390   0.35700   0.03300
Ow2   0.76000   0.13970   0.08800   0.02700
Ow3   0.88400   0.12810   0.44400   0.02700
Ow4   0.18000   0.25210   0.22100   0.01800
H1a   0.37600   0.08600   0.47500   0.06100
H1b   0.46600   0.01890   0.33400   0.03000
H2a   0.66500   0.19060   0.14700   0.06100
H2b   0.65500   0.09600   0.04400   0.07000
H3a   0.80100   0.18700   0.46100   0.03800
H3b   0.91200   0.10100   0.55000   0.04300
H4a   0.31700   0.26700   0.28600   0.03800
H4b   0.58900   0.19100   0.71900   0.03800