#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310467.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_2310467
loop_
_publ_author_name
'Rao, B.R.'
_publ_section_title
;
 Die Verfeinerung der Kristallstruktur von Kroehnkit, Na2 Cu (S O4)2 (H2
 O)2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              738
_journal_page_last               743
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Cu H4 Na2 O10 S2'
_chemical_name_systematic        'Na2 Cu (S O4)2 (H2 O)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.6
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.805
_cell_length_b                   12.675
_cell_length_c                   5.52
_cell_volume                     384.939
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Rao_ACCRA9_1961_1453.cif
_cod_data_source_block           H4Cu1Na2O10S2
_cod_original_cell_volume        384.9386
_cod_original_formula_sum        'H4 Cu1 Na2 O10 S2'
_cod_database_code               2310467
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
O1 O-2 0.007 0.173 0.491 1 0.0
S1 S+6 0.239 0.117 0.547 1 0.0
O2 O-2 0.282 0.056 0.786 1 0.0
O4 O-2 0.441 0.193 0.571 1 0.0
O5 O-2 0.828 0.134 0.951 1 0.0
O3 O-2 0.233 0.042 0.336 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
Na1 Na+1 0.571 0.125 0.205 1 0.0
