data_global
_chemical_name_mineral 'Syngenite'
loop_
_publ_author_name
'Corazza E'
'Sabelli C'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 124 
_journal_year 1967
_journal_page_first 398
_journal_page_last 408
_publ_section_title
;
 The crystal structure of syngenite, K2Ca(SO4)2*(H2O)
 Locality: Kalasz, Galicia
;
_chemical_formula_sum 'K2 Ca S2 O9 H2'
_cell_length_a 9.77
_cell_length_b 7.15
_cell_length_c 6.25
_cell_angle_alpha 90
_cell_angle_beta 104.0
_cell_angle_gamma 90
_cell_volume 423.628
_exptl_crystal_density_diffrn      2.575
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-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
K   0.33570   0.00680   0.19470   0.01710
Ca   0.96790   0.25000   0.33270   0.00595
S1   0.98970   0.25000   0.83960   0.00481
S2   0.63730   0.25000   0.26970   0.00836
O1   0.11910   0.25000   0.01670   0.01596
O2   0.22440   0.25000   0.50150   0.01330
O3   0.53220   0.25000   0.05860   0.01418
O4   0.56500   0.25000   0.44930   0.01887
O5   0.72960   0.08420   0.28370   0.01862
O6   0.86870   0.25000   0.94210   0.01520
O7   0.98130   0.08400   0.69590   0.01127
H   0.24300   0.35400   0.59700   0.06333

