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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/03/2310335.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310335
loop_
_publ_author_name
'Bachmann, H.G.'
'Zemann, J.'
_publ_section_title
;
 Die Kristallstruktur von Linarit, Pb Cu S O4 (O H)2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              747
_journal_page_last               753
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Cu H2 O6 Pb S'
_chemical_name_systematic        'Pb Cu (S O4) (O H)2'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.7
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.81
_cell_length_b                   5.65
_cell_length_c                   4.7
_cell_volume                     251.978
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Bachmann_ACCRA9_1961_1454.cif
_cod_data_source_block           H2Cu1O6Pb1S1
_cod_original_cell_volume        251.9777
_cod_original_formula_sum        'H2 Cu1 O6 Pb1 S1'
_cod_database_code               2310335
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
S1 S+6 0.666 0.25 0.55 1 0.0
O1 O-2 0.522 0.25 0.59 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
O4 O-2 0.966 0.25 0.253 1 0.0
Pb1 Pb+2 0.34325 0.25 0.015 1 0.0
O3 O-2 0.252 0.54 0.305 1 0.0
O2 O-2 0.658 0.25 0.235 1 0.0
O5 O-2 0.094 0.25 0.822 1 0.0
