data_global
_chemical_name_mineral 'Edenharterite'
loop_
_publ_author_name
'Berlepsch P'
_journal_name_full 'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_volume 76 
_journal_year 1996
_journal_page_first 147
_journal_page_last 157
_publ_section_title
;
 Crystal structure and crystal chemistry of the homeotypes edenharterite
 (TlPbAs3S6) and jentschite (TlPbAs2SbS6) from Lengenbach, Binntal (Switzerland)
;
_database_code_amcsd 0015410
_chemical_compound_source 'Lengenbach quarry, Binntal, Valais, Switzerland'
_chemical_formula_sum 'Tl Pb As2.93 Sb.07 S6'
_cell_length_a 15.4764
_cell_length_b 47.602
_cell_length_c 5.8489
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 4308.929
_exptl_crystal_density_diffrn      5.130
_symmetry_space_group_name_H-M 'F d d 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/4+x,1/4-y,1/4+z'
  '1/4+x,3/4-y,3/4+z'
  '3/4+x,1/4-y,3/4+z'
  '3/4+x,3/4-y,1/4+z'
  '1/4-x,1/4+y,1/4+z'
  '1/4-x,3/4+y,3/4+z'
  '3/4-x,1/4+y,3/4+z'
  '3/4-x,3/4+y,1/4+z'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-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_occupancy
_atom_site_U_iso_or_equiv
Tl   0.29520   0.03053   0.18500   1.00000   0.03460
Pb   0.02544   0.12228  -0.00080   1.00000   0.02010
As1   0.01200   0.03411   0.11560   0.93000   0.02400
Sb   0.01200   0.03411   0.11560   0.07000   0.02400
As2   0.09620   0.07577   0.56560   1.00000   0.01970
As3   0.30290   0.08303   0.77570   1.00000   0.01990
S1   0.39270   0.00450   0.62100   1.00000   0.02320
S2   0.49750   0.04050   0.00100   1.00000   0.02580
S3   0.14250   0.08090   0.20400   1.00000   0.01800
S4   0.20680   0.04700   0.68200   1.00000   0.02050
S5  -0.11570   0.08150  -0.04100   1.00000   0.02100
S6   0.22090   0.12130   0.70800   1.00000   0.02080
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 0.05510 0.03250 0.02430 -0.00540 -0.00530 0.00350
Pb 0.04020 0.01690 0.01200 -0.00010 -0.00020 -0.00010
As1 0.04000 0.01700 0.02200 -0.00100 -0.00400 -0.00400
Sb 0.04000 0.01700 0.02200 -0.00100 -0.00400 -0.00400
As2 0.03600 0.01500 0.01400 0.00100 0.00200 -0.00100
As3 0.03500 0.02000 0.01100 0.00000 -0.00300 0.00100
S1 0.02800 0.01600 0.02900 -0.00200 -0.00600 -0.00100
S2 0.04200 0.02800 0.02100 -0.01100 0.00900 -0.01000
S3 0.03800 0.01900 0.00800 0.00200 0.00100 0.00100
S4 0.03900 0.01300 0.02100 -0.00500 -0.01100 0.00200
S5 0.03500 0.01700 0.01800 0.00100 0.00600 -0.00500
S6 0.04100 0.01600 0.01400 -0.00200 0.00200 -0.00200