data_9015164
_publ_section_title
;
 Deformation density in magnesium sulfite hexahydrate.
 _cod_database_code 1100082
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              552
_journal_page_last               557
_journal_volume                  42
_journal_year                    1986
_chemical_formula_sum            'Mg O9 S'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'P 3*'
_symmetry_space_group_name_H-M   'R 3 :R'
_cell_angle_alpha                96.25
_cell_angle_beta                 96.25
_cell_angle_gamma                96.25
_cell_length_a                   5.911
_cell_length_b                   5.911
_cell_length_c                   5.911
_cell_volume                     202.553
_database_code_amcsd             0018257
_exptl_crystal_density_diffrn    1.643
_[local]_cod_cif_authors_sg_H-M  'R 3'
_[local]_cod_chemical_formula_sum_orig 'Mg S O9'
_cod_database_code               9015164
_amcsd_formula_title             'H12 Mg O9 S'
loop_
_space_group_symop_operation_xyz
x,y,z
z,x,y
y,z,x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1 0.00000 0.00000 0.00000
S1 -0.50313 -0.50313 -0.50313
O1 -0.25462 -0.48274 -0.55935
O2 -0.14493 -0.32984 0.04902
O3 0.12289 0.31765 -0.07661
