data_global
_chemical_name_mineral 'Jentschite'
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 0015411
_chemical_compound_source 'Lengenbach quarry, Binntal, Valais, Switzerland'
_chemical_formula_sum 'Tl Pb Sb.55 As2.45 S6'
_cell_length_a 8.0958
_cell_length_b 23.917
_cell_length_c 5.8876
_cell_angle_alpha 90
_cell_angle_beta 108.063
_cell_angle_gamma 90
_cell_volume 1083.816
_exptl_crystal_density_diffrn      5.237
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-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_occupancy
_atom_site_U_iso_or_equiv
Tl   0.09640   0.06125   0.85970   1.00000   0.03440
Pb   0.05860   0.25436   0.91450   1.00000   0.01950
Sb  -0.46250   0.07058   0.48960   0.55000   0.01950
As1  -0.46250   0.07058   0.48960   0.45000   0.01950
As2  -0.31260   0.15277   0.03540   1.00000   0.01500
As3   0.09660   0.16492   0.44500   1.00000   0.01880
S1   0.27840   0.01220   0.39200   1.00000   0.02210
S2   0.49080   0.08390   0.86900   1.00000   0.02440
S3  -0.20970   0.16370   0.72830   1.00000   0.01820
S4  -0.09760   0.09440   0.25700   1.00000   0.01840
S5   0.27320   0.16340   0.22000   1.00000   0.01910
S6  -0.06120   0.24260   0.30800   1.00000   0.01630
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 0.03920 0.03040 0.03980 -0.00570 0.01640 0.00310
Pb 0.02790 0.01300 0.02660 -0.00100 0.01490 0.00000
Sb 0.02200 0.01390 0.03000 0.00400 0.00860 -0.00620
As1 0.02200 0.01390 0.03000 0.00400 0.00860 -0.00620
As2 0.01900 0.01000 0.02400 0.00050 0.01160 -0.02900
As3 0.02400 0.01500 0.02200 0.00010 0.01200 0.00090
S1 0.02200 0.01300 0.03800 -0.00200 0.00800 0.00000
S2 0.03100 0.02700 0.03200 -0.01300 0.02000 -0.00800
S3 0.02300 0.01400 0.02600 -0.00200 0.01400 0.00000
S4 0.02400 0.01100 0.02900 0.00100 0.01200 0.00500
S5 0.02100 0.01300 0.03500 -0.00100 0.01500 -0.00200
S6 0.02500 0.00900 0.03200 -0.00100 0.01900 -0.00200