data_global
_chemical_name_mineral 'Hephaistosite'
loop_
_publ_author_name
'Campostrini I'
'Demartin F'
'Gramaccioli C M'
'Orlandi P'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 46 
_journal_year 2008
_journal_page_first 701
_journal_page_last 708
_publ_section_title
;
 Hephaistosite, TlPb2Cl5, a new thallium mineral series from La Fossa Crater,
 Vulcano, Aeolian Islands, Italy
 Location: La Fossa Crater, Vulcano, Aeolian Islands, Italy
;
_database_code_amcsd 0006195
_chemical_formula_sum 'Tl Pb2 Cl5'
_cell_length_a 8.9477
_cell_length_b 7.9218
_cell_length_c 12.4955
_cell_angle_alpha 90
_cell_angle_beta 90.092
_cell_angle_gamma 90
_cell_volume 885.703
_exptl_crystal_density_diffrn      5.970
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+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_U_iso_or_equiv
Tl   0.98934  -0.05117   0.16638   0.03410
Pb1   0.49483  -0.00984   0.17439   0.02350
Pb2   0.75346   0.43582   0.00620   0.02060
Cl1   0.04090   0.32200   0.08000   0.02690
Cl2   0.45740   0.33430   0.09650   0.02100
Cl3   0.27480   0.15750   0.31180   0.02090
Cl4   0.71890   0.04080   0.00160   0.02030
Cl5   0.73080   0.18750   0.27820   0.02210
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
Tl 0.03140 0.03400 0.03680 0.00580 0.00300 0.00590
Pb1 0.02500 0.02390 0.02150 -0.00280 0.00030 -0.00170
Pb2 0.01850 0.02230 0.02090 0.00070 0.00110 -0.00150
Cl1 0.01700 0.02620 0.03750 -0.00050 0.00050 0.01560
Cl2 0.01790 0.01850 0.02660 0.00170 -0.00030 0.00440
Cl3 0.02690 0.02060 0.01520 0.00730 0.00730 0.00470
Cl4 0.02200 0.02070 0.01830 0.00030 0.00060 -0.00150
Cl5 0.02450 0.02230 0.01960 -0.00210 -0.00010 -0.00190