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#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009849.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_9009849
loop_
_publ_author_name
'Zubkova N V'
'Pushcharovsky D Y'
'Giester G'
'Tillmanns E'
'Pekov I V'
'Kleimenov D A'
_publ_section_title
;
 The crystal structure of arsentsumebite, Pb2Cu[(As,S)O4]2(OH)
 Locality: oxidation zone of the Berezovskoye gold deposit, Middle Urals, Russia
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              79
_journal_page_last               88
_journal_volume                  75
_journal_year                    2002
_chemical_formula_sum            'As Cu H O9 Pb2 S'
_[local]_cod_chemical_formula_sum_orig 'Pb2 Cu (As S) (O9 H)'
_chemical_name_mineral           Arsentsumebite
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.29
_cell_angle_gamma                90
_cell_length_a                   7.804
_cell_length_b                   5.890
_cell_length_c                   8.964
_cell_volume                     381.246
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-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_occupancy
_atom_site_U_iso_or_equiv
Pb1 0.71630 0.25000 0.24120 1.00000 0.04306
Pb2 0.29870 0.25000 0.38690 1.00000 0.03546
Cu 0.00000 0.00000 0.00000 1.00000 0.01900
As1 0.55840 0.25000 -0.17150 0.63000 0.01267
S1 0.55840 0.25000 -0.17150 0.37000 0.01267
As2 -0.04490 0.25000 -0.35020 0.37000 0.01520
S2 -0.04490 0.25000 -0.35020 0.63000 0.01520
O-H1 0.17070 0.25000 0.08110 1.00000 0.01140
O2 -0.24130 0.25000 -0.46820 1.00000 0.03673
O3 0.09280 0.25000 0.55630 1.00000 0.06079
O4 0.43360 0.25000 0.93460 1.00000 0.04813
O5 0.77540 0.25000 -0.05430 1.00000 0.02660
O6 -0.00020 0.03020 -0.24100 1.00000 0.03293
O7 0.50990 0.02520 -0.28750 1.00000 0.03166
_cod_database_code 9009849