data_global
_chemical_name_mineral 'Fettelite'
loop_
_publ_author_name
'Bindi L'
'Menchetti S'
_journal_name_full 'American Mineralogist'
_journal_volume 96 
_journal_year 2011
_journal_page_first 792
_journal_page_last 796
_publ_section_title
;
 Fast ion conduction character and ionic phase-transition in silver sulfosalts:
 The case of fettelite [Ag6As2S7][Ag10HgAs2S8]
 Note: T = 400 K
;
_database_code_amcsd 0018386
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ag17.742 As3.552 Sb.448 S15'
_cell_length_a 7.5984
_cell_length_b 7.5984
_cell_length_c 15.557
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 777.859
_exptl_crystal_density_diffrn      5.797
_symmetry_space_group_name_H-M 'P -3 m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,-x+y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  '-x+y,y,z'
  '-x,-y,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x,x-y,z'
  'x-y,x,-z'
  'x-y,-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
Ag1   0.46798   0.53202   0.30158   1.00000   0.04750
Ag2   0.29657   0.14829   0.08926   1.00000   0.06130
Ag3   0.50000   0.00000   0.50000   0.85400   0.07700
Ag4   0.27500   0.00000   0.50000   0.20000   0.04000
Ag5   0.20100   0.00000   0.50000   0.33000   0.08000
As1   0.33333   0.66667   0.07345   1.00000   0.02830
As2   0.00000   0.00000   0.28096   0.77600   0.02880
Sb2   0.00000   0.00000   0.28096   0.22400   0.02880
S1   0.48400   0.51600   0.14300   1.00000   0.05870
S2   0.30330   0.15166   0.35386   1.00000   0.02880
S3   0.33333   0.66667   0.43642   1.00000   0.02880
S4   0.00000   0.00000   0.00000   1.00000   0.09000
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
Ag1 0.04540 0.04540 0.04120 0.01490 -0.00711 0.00711
Ag2 0.04510 0.06150 0.07180 0.02250 -0.03650 -0.01830
Ag3 0.13800 0.02800 0.02770 0.01410 0.00030 0.00050
Ag4 0.05300 0.03500 0.02600 0.01730 0.00960 0.01900
Ag5 0.10300 0.09600 0.03900 0.04800 -0.00570 -0.01100
As1 0.03530 0.03530 0.01430 0.01760 0.00000 0.00000
As2 0.03490 0.03490 0.01650 0.01750 0.00000 0.00000
Sb2 0.03490 0.03490 0.01650 0.01750 0.00000 0.00000
S1 0.08100 0.08100 0.04730 0.06600 0.00200 -0.00200
S2 0.03180 0.03090 0.02390 0.01590 0.00170 0.00080
S3 0.03530 0.03530 0.01600 0.01760 0.00000 0.00000
S4 0.09200 0.09200 0.08700 0.04600 0.00000 0.00000