data_global
_chemical_name_mineral 'Gorgeyite'
loop_
_publ_author_name
'Mukhtarova N N'
'Kalinin V R'
'Rastsvetaeva R K'
'Ilyukhin V V'
'Belov N V'
_journal_name_full 'Doklady Akademii Nauk SSSR'
_journal_volume 252 
_journal_year 1980
_journal_page_first 102
_journal_page_last 105
_publ_section_title
;
 Crystal structure of gorgeyite K2Ca5(SO4)6*H2O
;
_database_code_amcsd 0012466
_chemical_formula_sum 'K2 Ca5 S6 O25 H2'
_cell_length_a 17.519
_cell_length_b 18.252
_cell_length_c 6.840
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 113.33
_cell_volume 2008.314
_exptl_crystal_density_diffrn      2.887
_symmetry_space_group_name_H-M 'B 1 1 2/b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  '-x,1/2-y,z'
  '1/2-x,1/2-y,1/2+z'
  'x,1/2+y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K   0.06662   0.08944   0.10865   0.02153
Ca1   0.14857   0.48314   0.42274   0.00722
Ca2   0.28210   0.20681   0.37465   0.00747
Ca3   0.50000   0.25000   0.08789   0.00798
S1   0.36792   0.08811   0.41503   0.00684
S2   0.42453   0.38308   0.09998   0.00659
S3   0.21580   0.34618   0.38849   0.00633
O1   0.10118   0.42389   0.10670   0.01431
O2   0.13631   0.34132   0.47220   0.01355
O3   0.41207   0.17381   0.36140   0.01393
O4   0.38070   0.03539   0.26930   0.01330
O5   0.27828   0.07444   0.42470   0.01191
O6   0.20250   0.28060   0.22560   0.01444
O7   0.26207   0.42879   0.32880   0.01254
O8   0.39780   0.31376   0.23440   0.01418
O9   0.14414   0.12189   0.46690   0.01279
O10   0.23774   0.17762   0.03970   0.01254
O11   0.44686   0.45739   0.21090   0.01570
O12   0.00564   0.11918   0.48410   0.01267
Wat13   0.00000   0.25000   0.23080   0.03141