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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/54/1535468.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_1535468
loop_
_publ_author_name
'Moeller, A.'
'Freimuth, A.'
'Sobotka, B.M.'
'Baier, J.'
_publ_section_title
;
 Ein Natrium-Oxocobaltat(II)-Sulfat: Na8 (Co O3) (S O4)2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2705
_journal_page_last               2708
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Co Na8 O11 S2'
_chemical_name_systematic        'Na8 (Co O3) (S O4)2'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.0688
_cell_length_b                   22.321
_cell_length_c                   7.0597
_cell_volume                     1271.478
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Moeller_ZAACAB_2002_704.cif
_cod_data_source_block           Co1Na8O11S2
_cod_original_formula_sum        'Co1 Na8 O11 S2'
_cod_database_code               1535468
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-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
Na3 Na+1 0 0.26381 0.25 1 0.0
O11 O-2 0.5 0.05996 0.9199 1 0.0
O2 O-2 0 0.16604 0.25 1 0.0
Na2 Na+1 0.2058 0.1582 0.0278 1 0.0
S1 S+6 0.5 0.09741 0.75 1 0.0
Na1 Na+1 0.2577 0 0 1 0.0
Co1 Co+2 0 0.07939 0.25 1 0.0
O21 O-2 0.3545 0.7599 0.5831 0.5 0.0
O1 O-2 0.2179 0.06086 0.25 1 0.0
O22 O-2 0.543 0.7027 0.75 0.5 0.0
Na4 Na+1 0.5 0.07766 0.25 1 0.0
O12 O-2 0.3518 0.1363 0.75 1 0.0
O23 O-2 0.545 0.8139 0.698 0.25 0.0
S2 S+6 0.4767 0.75852 0.75 0.5 0.0
