data_global
_chemical_name_mineral 'Kieserite'
loop_
_publ_author_name
'Hawthorne F C'
'Groat L A'
'Raudsepp M'
'Ercit T S'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_volume 157 
_journal_year 1987
_journal_page_first 121
_journal_page_last 132
_publ_section_title
;
 Kieserite, Mg(SO4)(H2O), a titanite-group mineral
;
_database_code_amcsd 0014714
_chemical_compound_source 'Wathlingen, Hanover, Germany'
_chemical_formula_sum 'Mg S O5 H2'
_cell_length_a 6.891
_cell_length_b 7.624
_cell_length_c 7.645
_cell_angle_alpha 90
_cell_angle_beta 117.70
_cell_angle_gamma 90
_cell_volume 355.614
_exptl_crystal_density_diffrn      2.585
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg   0.00000   0.50000   0.00000   0.00950
S   0.00000   0.15490   0.25000   0.00790
O1   0.17610   0.04470   0.39430   0.01460
O2   0.09160   0.26760   0.14910   0.01280
Ow3   0.00000   0.63530   0.25000   0.01200
H   0.12000   0.69300   0.29600   0.01000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mg 0.00810 0.00980 0.01010 -0.00050 0.00380 0.00040
S 0.00590 0.00770 0.00920 0.00000 0.00290 0.00000
O1 0.00930 0.01560 0.01710 0.00370 0.00460 0.00650
O2 0.01210 0.01250 0.01670 0.00120 0.00920 0.00430
Ow3 0.01000 0.01360 0.01190 0.00000 0.00470 0.00000