data_global
_chemical_name_mineral 'Jamesonite'
loop_
_publ_author_name
'Matsushita Y'
'Ueda Y'
_journal_name_full 'Inorganic Chemistry'
_journal_volume 42 
_journal_year 2003
_journal_page_first 7830
_journal_page_last 7838
_publ_section_title
;
 Structure and physical properties of 1D magnetic chalcogenide,
 jamesonite (FePb4Sb6S14)
;
_database_code_amcsd 0018283
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Pb4 Sb6 Fe S14'
_cell_length_a 15.750
_cell_length_b 19.125
_cell_length_c 4.030
_cell_angle_alpha 90
_cell_angle_beta 91.68
_cell_angle_gamma 90
_cell_volume 1213.390
_exptl_crystal_density_diffrn      5.649
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-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  -0.07429   0.26108   0.05560   0.02110
Pb2  -0.31702   0.35932   0.03410   0.02330
Sb1   0.13120   0.34110  -0.38720   0.02010
Sb2  -0.10379   0.45257  -0.38740   0.01530
Sb3  -0.17991   0.06342   0.41160   0.01670
Fe   0.00000   0.00000   0.00000   0.01700
S1  -0.21570   0.49680   0.02680   0.01500
S2  -0.07960   0.10560  -0.01080   0.01800
S3   0.09590   0.04360  -0.47700   0.01400
S4   0.05160   0.23070  -0.43190   0.01900
S5  -0.18330   0.34140  -0.45050   0.01600
S6   0.00240   0.39810   0.04660   0.01700
S7  -0.27470   0.20380   0.07470   0.01900
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 0.02300 0.02100 0.01980 0.00030 0.00230 -0.00060
Pb2 0.01500 0.03530 0.02000 0.00370 0.00150 -0.00140
Sb1 0.00600 0.02230 0.03190 -0.00530 -0.00660 0.00880
Sb2 0.00100 0.01900 0.02590 0.00110 0.00300 -0.00050
Sb3 0.00700 0.01720 0.02630 0.00370 0.00850 0.00180
Fe 0.00600 0.01600 0.02800 0.00700 0.00800 0.00330
S1 0.00300 0.02200 0.02200 0.00300 0.00600 -0.00300
S2 0.01600 0.01100 0.02700 0.00000 0.01000 0.00220
S3 0.01000 0.01300 0.02000 0.00100 0.00300 0.00250
S4 0.02500 0.01500 0.01700 -0.00200 0.00100 0.00020
S5 0.01500 0.01700 0.01600 -0.00100 -0.00300 -0.00170
S6 0.00700 0.02100 0.02100 -0.00300 -0.00500 0.00100
S7 0.00300 0.02200 0.03200 0.00300 0.00500 -0.00100