data_global
_chemical_name_mineral 'Diaphorite'
loop_
_publ_author_name
'Armbruster T'
'Makovicky E'
'Berlepsch P'
'Sejkora J'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 15 
_journal_year 2003
_journal_page_first 137
_journal_page_last 146
_publ_section_title
;
 Crystal structure, cation ordering, and polytypic character of diaphorite,
 Pb2Ag3Sb3S8, a PbS-based structure
;
_database_code_amcsd 0006959
_chemical_formula_sum 'Pb1.888 Ag3.112 Sb3 S8'
_cell_length_a 17.8520
_cell_length_b 5.8870
_cell_length_c 15.8090
_cell_angle_alpha 90
_cell_angle_beta 116.165
_cell_angle_gamma 90
_cell_volume 1491.191
_exptl_crystal_density_diffrn      6.007
_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_occupancy
_atom_site_U_iso_or_equiv
Pb1   0.18973  -0.31003   0.54127   1.00000   0.02062
AgM1   0.06451   0.19426   0.34402   0.51600   0.02740
PbM1   0.06451   0.19426   0.34402   0.48400   0.02740
AgM2   0.30967   0.28176   0.22247   0.59600   0.03020
PbM2   0.30967   0.28176   0.22247   0.40400   0.03020
Ag3   0.43323   0.75810   0.14479   1.00000   0.04360
Ag4   0.19471   0.71170   0.28096   1.00000   0.04880
Sb1   0.31616   0.21030   0.46489   1.00000   0.01691
Sb2   0.43998   0.76228   0.39980   1.00000   0.01630
Sb3  -0.06306  -0.28248   0.39950   1.00000   0.01611
S1   0.21050   0.15180   0.52680   1.00000   0.02580
S2  -0.07340   0.12760   0.38230   1.00000   0.02480
S3   0.29638   0.62510   0.45152   1.00000   0.01710
S4   0.17373   0.15360   0.25980   1.00000   0.02910
S5   0.44417   0.35010   0.38960   1.00000   0.02350
S6   0.05450   0.67540   0.35830   1.00000   0.02030
S7   0.34461   0.81590   0.23088   1.00000   0.02230
S8   0.43137   0.19450   0.62829   1.00000   0.01890
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 0.01840 0.01940 0.02370 0.00031 0.00901 0.00138
AgM1 0.02410 0.03050 0.03020 -0.00020 0.01440 0.00190
PbM1 0.02410 0.03050 0.03020 -0.00020 0.01440 0.00190
AgM2 0.02820 0.03490 0.01900 -0.00210 0.00270 0.00120
PbM2 0.02820 0.03490 0.01900 -0.00210 0.00270 0.00120
Ag3 0.05190 0.03620 0.06340 -0.00280 0.04430 0.00010
Ag4 0.05190 0.04110 0.02980 -0.00070 -0.00350 0.00390
Sb1 0.01500 0.01460 0.02000 -0.00010 0.00660 -0.00110
Sb2 0.01590 0.01470 0.01800 0.00070 0.00720 -0.00050
Sb3 0.01510 0.01570 0.01740 0.00070 0.00700 0.00220
S1 0.02740 0.01650 0.04510 0.00040 0.02660 0.00140
S2 0.03170 0.01810 0.02640 0.00370 0.01450 0.00100
S3 0.01670 0.01480 0.02020 0.00000 0.00850 0.00020
S4 0.02040 0.03080 0.02460 0.00340 -0.00060 0.00120
S5 0.03010 0.01500 0.03320 -0.00010 0.02100 -0.00010
S6 0.01440 0.02560 0.02070 0.00030 0.00770 -0.00150
S7 0.01830 0.02770 0.01620 0.00280 0.00310 0.00140
S8 0.01290 0.02280 0.01870 -0.00050 0.00500 0.00280