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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/93/1539303.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_1539303
loop_
_publ_author_name
'Tardy, M.'
'Bregeault, J.M.'
_publ_section_title
;
 Etude structurale de l'hydroxysulfate double de cuivre et de potassium
 monohydrate: K Cu2 (O H) (S O4)2 (H2 O)
;
_journal_name_full
'Bulletin de la Societe Chimique de France (Vol=Year)'
_journal_page_first              1866
_journal_page_last               1870
_journal_volume                  1974
_journal_year                    1974
_chemical_formula_sum            'Cu2 H3 K O10 S2'
_chemical_name_systematic        'K Cu2 (O H) (S O4)2 (H2 O)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.62
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.957
_cell_length_b                   6.251
_cell_length_c                   7.626
_cell_volume                     378.323
_citation_journal_id_ASTM        BSCFAS
_cod_data_source_file            Tardy_BSCFAS_1974_1241.cif
_cod_data_source_block           H3Cu2K1O10S2
_cod_original_cell_volume        378.3233
_cod_original_formula_sum        'H3 Cu2 K1 O10 S2'
_cod_database_code               1539303
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
K1 K+1 0 0.5 0.5 1 0.0
O2 O-2 0.1829 0 0.4981 1 0.0
S1 S+6 0.0806 0 0.2881 1 0.0
O4 O-2 0.3434 0 -0.0746 1 0.0
O3 O-2 -0.0291 0.1911 0.2267 1 0.0
O1 O-2 0.1874 0 0.1849 1 0.0
Cu1 Cu+2 0.25 0.25 0 1 0.0
