data_9003814
_chemical_name 'Leadhillite'
loop_
_publ_author_name
'Bindi L'
'Menchetti S'
_journal_name_full "American Mineralogist"
_journal_volume 90
_journal_year 2005
_journal_page_first 1641
_journal_page_last 1647
_publ_section_title
;
 Structural changes accompanying the phase transformation between leadhillite
 and susannite: a structural study by means of in situ high-temperature single-
 crystal X-ray diffraction
 Sample: Chah Mileh Mine, Anarak District, Esfahan Province, Iran
 Sample: T = 25C
;
_chemical_formula_sum 'Pb4 S C2 O12 H2'
_cell_length_a 9.104
_cell_length_b 20.792
_cell_length_c 11.577
_cell_angle_alpha 90
_cell_angle_beta 90.50
_cell_angle_gamma 90
_cell_volume 2191.331
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Pb1a   0.41786   0.17889   0.10828   0.02532
Pb1b   0.42953   0.43245   0.10341   0.02627
Pb1c   0.41429   0.69339   0.09389   0.02514
Pb1d   0.40651   0.93851   0.10321   0.02416
Pb2a   0.62598   0.04793   0.32112   0.02337
Pb2b   0.55846   0.28260   0.33797   0.02450
Pb2c   0.53538   0.57362   0.31877   0.02629
Pb2d   0.60782   0.83185   0.31875   0.02696
SA   0.22970   0.07370   0.48790   0.04300
SB   0.23850   0.31750   0.51320   0.04580
CA   0.25500   0.05770   0.15830   0.01900
CB   0.25740   0.31270   0.14610   0.02200
CC   0.25130   0.56320   0.12350   0.02000
CD   0.24900   0.80980   0.15650   0.01800
O1a   0.07330   0.08680   0.46620   0.05600
O1b   0.10040   0.28110   0.54160   0.05600
O2a   0.30010   0.13780   0.47540   0.04700
O2b   0.20840   0.38660   0.51090   0.04900
O3a   0.28440   0.02480   0.41100   0.05500
O3b   0.29150   0.29270   0.39890   0.04900
O4a   0.24130   0.05500   0.61430   0.05000
O4b   0.34510   0.30450   0.60650   0.05000
O5a   0.18510   0.00490   0.15070   0.05300
O5b   0.18350   0.25830   0.15240   0.06000
O5c   0.18320   0.50830   0.13040   0.04600
O5d   0.17250   0.75810   0.13840   0.05500
O6a   0.39470   0.05640   0.15050   0.05900
O6b   0.40090   0.31030   0.14740   0.06100
O6c   0.39450   0.56210   0.12420   0.05200
O6d   0.38610   0.80610   0.14980   0.05900
O7a   0.18260   0.11370   0.16360   0.05600
O7b   0.18390   0.36640   0.13230   0.05600
O7c   0.17280   0.61600   0.11870   0.04900
O7d   0.18130   0.86720   0.15120   0.05100
O-Ha   0.46630   0.18400   0.29360   0.05400
O-Hb   0.38580   0.44810   0.28770   0.05200
O-Hc   0.38650   0.67140   0.28370   0.04700
O-Hd   0.46920   0.93540   0.29050   0.04800