#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/45/1534556.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_1534556
loop_
_publ_author_name
'Amann, P.'
'Moeller, A.'
_publ_section_title
;
 Reactivity, syntheses and crystal structures of Na5 (M O2) (X) with M =
 Co(+), Ni(+), Cu(+); X = (C O3)(2-), (S O4)(2-), (S O3)(2-), S(2-) and
 Na25 (Cu O2)5 (S O4)4 (S)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1643
_journal_page_last               1650
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Cu Na5 O6 S'
_chemical_name_systematic        'Na5 (Cu O2) (S O4)'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.7914
_cell_length_b                   4.7914
_cell_length_c                   8.5134
_cell_volume                     195.446
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Amann_ZAACAB_2003_958.cif
_cod_data_source_block           Cu1Na5O6S1
_cod_original_cell_volume        195.4465
_cod_original_formula_sum        'Cu1 Na5 O6 S1'
_cod_database_code               1534556
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
Na1 Na+1 0 0.5 -0.2326 1 0.0
Cu1 Cu+1 0 0 0 1 0.0
O3 O-2 0.455 0.455 0.3347 0.25 0.0
O1 O-2 0 0 -0.212 1 0.0
S1 S+6 -0.5444 -0.5444 -0.5 0.25 0.0
Na2 Na+1 0 0 0.5 1 0.0
O2 O-2 -0.8462 0.5 0.5 0.5 0.0
