data_global
_chemical_name_mineral 'Aiolosite'
loop_
_publ_author_name
'Demartin F'
'Gramaccioli C M'
'Campostrini I'
'Pilati T'
_journal_name_full 'American Mineralogist'
_journal_volume 95 
_journal_year 2010
_journal_page_first 382
_journal_page_last 385
_publ_section_title
;
 Aiolosite, Na2(Na2Bi)(SO4)3Cl, a new sulfate isotypic to apatite
 from La Fossa Crater, Vulcano, Aeolian Islands, Italy
;
_database_code_amcsd 0005030
_chemical_compound_source 'La Fossa Crater, Vulcano Island, Aeolian Archipelago, Sicily Italy'
_chemical_formula_sum 'Na4.136 Bi.864 S3 O12.19 Cl.74 Br.07 H.38'
_cell_length_a 9.626
_cell_length_b 9.626
_cell_length_c 6.880
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 552.091
_exptl_crystal_density_diffrn      3.604
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x,-y,-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
Na1   0.33333   0.66667   0.00670   1.00000   0.02060
Na2   0.25340   0.99900   0.25000   0.71200   0.03310
Bi   0.25340   0.99900   0.25000   0.28800   0.03310
S   0.40290   0.37420   0.25000   1.00000   0.02010
O1   0.33200   0.47750   0.25000   1.00000   0.03600
O2   0.57760   0.46640   0.25000   1.00000   0.05800
O3   0.35430   0.26950   0.08000   1.00000   0.06400
Cl   0.00000   0.00000   0.00000   0.74000   0.08700
Br   0.00000   0.00000   0.00000   0.07000   0.08700
Wat   0.00000   0.00000   0.25000   0.19000   0.08000
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
Na1 0.02130 0.02130 0.01930 0.01070 0.00000 0.00000
Na2 0.03390 0.02250 0.04250 0.01370 0.00000 0.00000
Bi 0.03390 0.02250 0.04250 0.01370 0.00000 0.00000
S 0.01950 0.01870 0.02190 0.00950 0.00000 0.00000
O1 0.04800 0.04400 0.03200 0.03600 0.00000 0.00000
O2 0.02200 0.03200 0.11400 0.01000 0.00000 0.00000
O3 0.10500 0.06100 0.05300 0.06000 -0.04600 -0.03300
Wat 0.05000 0.05000 0.16200 0.02500 0.00000 0.00000