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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/2/31/06/2310620.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_2310620
loop_
_publ_author_name
'Kokkoros, P.A.'
'Rentzeperis, P.J.'
_publ_section_title
;
 The crystal structure of the anhydrous sulfates of copper and zinc
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              361
_journal_page_last               364
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'Cu O4 S'
_chemical_name_systematic        'Cu (S O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.39
_cell_length_b                   6.69
_cell_length_c                   4.83
_cell_volume                     271.104
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Kokkoros_ACCRA9_1958_263.cif
_cod_data_source_block           Cu1O4S1
_cod_original_cell_volume        271.1036
_cod_original_formula_sum        'Cu1 O4 S1'
_cod_database_code               2310620
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
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
O2 O-2 0.367 0.25 0.444 1 0.0
O3 O-2 0.13 0.053 0.305 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
O1 O-2 0.13 0.25 0.736 1 0.0
S1 S+6 0.186 0.25 0.444 1 0.0
