data_global
_chemical_name_mineral 'Kirkiite'
loop_
_publ_author_name
'Pinto D'
'Balic-Zunic T'
'Garavelli A'
'Garbarino C'
'Makovicky E'
'Vurro F'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 18 
_journal_year 2006
_journal_page_first 393
_journal_page_last 401
_publ_section_title
;
 First occurrence of close-to-ideal kirkiite at Vulcano (Aeolian Islands,
 Italy): chemical data and single-crystal X-ray study
;
_database_code_amcsd 0007156
_chemical_compound_source 'La Fossa crater, Vulcano, Aeolian Islands, Italy'
_chemical_formula_sum 'Pb11 Bi2 As3 S19'
_cell_length_a 8.700
_cell_length_b 26.237
_cell_length_c 8.774
_cell_angle_alpha 90
_cell_angle_beta 119.653
_cell_angle_gamma 90
_cell_volume 1740.482
_exptl_crystal_density_diffrn      6.738
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_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_occupancy
_atom_site_U_iso_or_equiv
Pb1   0.74360   0.00104   0.23560   1.00000   0.02350
Pb2   0.59200   0.12483   0.42670   1.00000   0.02510
Pb3   0.07648   0.12617   0.90320   1.00000   0.02270
Pb4   0.58510   0.12619   0.90840   1.00000   0.01870
Pb5   0.93120   0.25000   0.10880   1.00000   0.03900
Pb6   0.92310   0.25000   0.57580   1.00000   0.02400
Pb7   0.40700   0.25000   0.56790   1.00000   0.03900
Bi1   0.25550   0.00031   0.24590   1.00000   0.02560
As2   0.08100   0.12170   0.41480   1.00000   0.01600
As3   0.41700   0.28050   0.07900   0.50000   0.01200
S1   0.42900   0.06240   0.06300   1.00000   0.02100
S2   0.88400   0.05700   0.03300   1.00000   0.01500
S3   0.45700   0.05630   0.61300   1.00000   0.01500
S4   0.89400   0.05520   0.60600   1.00000   0.01200
S5   0.82800   0.16460   0.29200   1.00000   0.01100
S6   0.21000   0.16530   0.28700   1.00000   0.01400
S7   0.74800   0.18130   0.73800   1.00000   0.01900
S8   0.20700   0.16480   0.67200   1.00000   0.01700
S9   0.55700   0.25000   0.94000   1.00000   0.00700
S10   0.14700   0.25000   0.94600   1.00000   0.02300
S11   0.54300   0.25000   0.34300   1.00000   0.04400
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
Pb1 0.01800 0.01900 0.02200 0.00000 0.00200 -0.00200
Pb2 0.02400 0.02500 0.02500 0.00200 0.01100 -0.00200
Pb3 0.02800 0.02100 0.02300 0.00200 0.01600 0.00200
Pb4 0.02300 0.01800 0.02000 -0.00200 0.01500 0.00100
Pb5 0.03300 0.03400 0.04700 0.00000 0.01600 0.00000
Pb6 0.04500 0.02000 0.02600 0.00000 0.03100 0.00000
Pb7 0.06800 0.03000 0.03700 0.00000 0.04000 0.00000
Bi1 0.01900 0.02500 0.02600 -0.00200 0.00400 0.00100