data_global
_chemical_name_mineral 'Semseyite'
loop_
_publ_author_name
'Kohatsu J J'
'Wuensch B J'
_journal_name_full 'American Mineralogist'
_journal_volume 59
_journal_year 1974
_journal_page_first 1127
_journal_page_last 1127
_publ_section_title
;
 Semseyite (Pb9Sb8S21) and the crystal chemistry of the plagionite group,
 Pb3+2nSb8S15+2n
 Note: structure from ICSD
;
_database_code_amcsd 427
_chemical_formula_sum 'Pb9 Sb8 S21'
_cell_length_a 13.603
_cell_length_b 11.936
_cell_length_c 24.453
_cell_angle_alpha 90.0
_cell_angle_beta 106.047
_cell_angle_gamma 90.0
_cell_volume 3815.619
_exptl_crystal_density_diffrn  6.114
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb1   0.5  0.9557  0.25  2.0
Pb2   0.2276  0.0143  0.3068  2.0
Pb3   0.2683  0.2275  0.0927  2.0
Pb4   0.0226  0.1151  0.1426  2.0
Pb5   0.2498  0.0527  0.4821  2.0
Sb1   0.5067  0.3328  0.474  2.0
Sb2   0.4841  0.942  0.4245  2.0
Sb3   0.2232  0.323  0.3793  2.0
Sb4   0.4522  0.2586  0.316  2.0
S1   0.0  0.8955  0.25  0.01887
S2   0.3212  0.4036  0.3174  0.0157
S3   0.1106  0.4969  0.3698  0.01203
S4   0.3675  0.1145  0.4013  0.01418
S5   0.381  0.5515  0.4524  0.01431
S6   0.3714  0.4421  0.102  0.01697
S7   0.1235  0.3383  0.1524  0.01621
S8   0.1112  0.2221  0.3033  0.01469
S9   0.3571  0.1335  0.244  0.019
S10   0.0958  0.2129  0.4557  0.0171
S11   0.3662  0.1734  0.0017  0.01469
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   0.02528  0.00873  0.02266  0.0  -0.00311  0.0
Pb2   0.01602  0.00794  0.01679  0.00213  0.00311  -0.00099
Pb3   0.01593  0.00765  0.01791  -0.00119  0.00514  0.0
Pb4   0.01636  0.00758  0.0207  0.00079  0.00591  0.00199
Pb5   0.02182  0.01638  0.01958  0.00174  0.0056  -0.00085
Sb1   0.01472  0.00217  0.01763  0.00142  0.00514  -0.00014
Sb2   0.01238  0.00202  0.0193  -0.00079  0.00591  0.00043
Sb3   0.01524  0.00152  0.01455  0.00174  0.00576  0.00412
Sb4   0.01472  0.01176  0.01595  0.00087  0.00638  -0.00256