data_global
_chemical_name_mineral 'Alumoklyuchevskite'
loop_
_publ_author_name
'Krivovichev S V'
'Filatov S K'
'Cherepansky P N'
_journal_name_full 'Geology of Ore Deposits'
_journal_volume 51 
_journal_year 2009
_journal_page_first 656
_journal_page_last 662
_publ_section_title
;
 The crystal structure of alumoklyuchevskite, K3Cu3AlO2(SO4)4
 Kamchatka Peninsula, Russia, 1975-1976
;
_database_code_amcsd 0017777
_chemical_compound_source 'Great Tolbachik Fissure Eruption,'
_chemical_formula_sum 'K3 Cu3 (Al.64 Fe.36) S4 O18'
_cell_length_a 18.772
_cell_length_b 4.967
_cell_length_c 18.468
_cell_angle_alpha 90
_cell_angle_beta 101.66
_cell_angle_gamma 90
_cell_volume 1686.432
_exptl_crystal_density_diffrn      2.999
_symmetry_space_group_name_H-M 'I 1 2 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
K1   0.50000   0.48300   0.50000   1.00000   0.03100
K2   0.00000   0.46400   0.50000   1.00000   0.02500
K3   0.37000   0.51900   0.74650   1.00000   0.02000
K4   0.42940   0.03700   0.27760   1.00000   0.03400
Cu1   0.18660   0.00180   0.53270   1.00000   0.02110
Cu2   0.26000  -0.01370   0.40980   1.00000   0.01390
Cu3   0.16930   0.48500   0.41670   1.00000   0.01290
AlMc   0.30250   0.51400   0.52820   0.64000   0.02000
FeMc   0.30250   0.51400   0.52820   0.36000   0.02000
S1   0.18350   0.50300   0.62590   1.00000   0.02900
S2   0.33090   0.48700   0.36490   1.00000   0.01400
S3   0.07280  -0.01500   0.36920   1.00000   0.01300
S4   0.40590   0.02400   0.60220   1.00000   0.01900
O1   0.18380   0.46000   0.70510   1.00000   0.04000
O2   0.13380   0.35600   0.57180   1.00000   0.04000
O3   0.16070   0.78600   0.60870   1.00000   0.01700
O4   0.26030   0.48000   0.61700   1.00000   0.01700
O5   0.35630   0.56000   0.44280   1.00000   0.00500
O6   0.38940   0.43400   0.32480   1.00000   0.04000
O7   0.31240   0.77700   0.35690   1.00000   0.03300
O8   0.26500   0.32900   0.34170   1.00000   0.03400
O9   0.00670  -0.04800   0.31600   1.00000   0.04900
O10   0.09010   0.70000   0.35940   1.00000   0.03400
O11   0.06500   0.02400   0.44530   1.00000   0.03100
O12   0.13110   0.15600   0.35510   1.00000   0.03600
O13   0.47340   0.02800   0.57630   1.00000   0.01800
O14   0.41470  -0.00500   0.68230   1.00000   0.02300
O15   0.38450   0.31000   0.58310   1.00000   0.02800
O16   0.34760   0.85560   0.56510   1.00000   0.02500
O17   0.23200   0.73200   0.48000   1.00000   0.04000
O18   0.23300   0.23100   0.47600   1.00000   0.04000