#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9003815.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9003815
loop_
_publ_author_name
'Bindi L'
'Menchetti S'
_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 = 82C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1641
_journal_page_last               1647
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum            'Pb4 S C2 O12'
_chemical_name_mineral           Susannite
_symmetry_space_group_name_H-M   'P 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.077
_cell_length_b                   9.077
_cell_length_c                   11.611
_cell_volume                     828.485
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb1 0.66770 0.98810 0.02000 0.03800
Pb2 0.34810 0.01360 0.81600 0.03600
Pb3 0.67100 0.94580 0.59200 0.03600
Pb4 0.66070 0.61170 0.24100 0.03500
S1 0.66667 0.33333 0.43000 0.04200
S2 0.33333 0.66667 0.41000 0.05100
S3 0.00000 0.00000 0.41000 0.05100
C1 0.00000 0.00000 0.07000 0.02900
C2 0.33333 0.66667 0.07000 0.03100
C3 0.66667 0.33333 0.05000 0.03100
C4 0.33333 0.66667 0.78000 0.03100
C5 0.00000 0.00000 0.78000 0.03000
C6 0.66667 0.33333 0.76000 0.02900
O1 0.66000 0.03000 0.21400 0.05600
O2 0.36000 0.03000 0.60700 0.05000
O3 0.86000 -0.14000 0.06000 0.06500
O4 0.47000 -0.32000 0.06000 0.06800
O5 0.66000 0.47000 0.04000 0.06800
O6 0.48000 -0.19000 0.77000 0.06000
O7 0.99800 -0.14000 0.77000 0.06100
O8 0.52000 0.33000 0.75000 0.06400
O9 0.66667 0.33333 0.31000 0.05300
O10 0.83000 0.38000 0.46000 0.05000
O11 0.33333 0.66667 0.53000 0.06200
O12 0.51000 0.76000 0.37000 0.06300
O13 0.00000 0.00000 0.53000 0.06900
O14 0.17000 0.11100 0.37000 0.06100