#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/45/1534546.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_1534546
loop_
_publ_author_name
'Amann, P.'
'Moeller, A.'
_publ_section_title
;
 Ein Natrium-Oxocobaltat(II)-Hydroxid: Na5 (Co O3) O H = Na10 (Co O3) ((C
 O3) (O H)2)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1756
_journal_page_last               1760
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Co H Na5 O4'
_chemical_name_systematic        'Na5 (Co O3) (O H)'
_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            8
_cell_length_a                   9.8848
_cell_length_b                   10.139
_cell_length_c                   11.8633
_cell_volume                     1188.964
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Amann_ZAACAB_2002_554.cif
_cod_data_source_block           H1Co1Na5O4
_cod_original_formula_sum        'H1 Co1 Na5 O4'
_cod_database_code               1534546
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 0.562 0.0988 0.3734 1 0.0
Co2 Co+2 0.2938 0.75 0.11368 1 0.0
Na5 Na+1 0.2839 0.4209 0.1808 1 0.0
Na4 Na+1 0.1315 0.5618 -0.01258 1 0.0
O1 O-2 0.4031 0.5981 0.1051 1 0.0
H1 H+1 0.343 0.404 -0.168 1 0.0
O3 O-2 0.1088 0.75 0.1122 1 0.0
Co1 Co+2 0.51432 0.25 0.29043 1 0.0
Na6 Na+1 0.6107 0.25 0.5189 1 0.0
Na2 Na+1 0.5723 0.4336 0.08762 1 0.0
O4 O-2 0.4407 0.25 0.1485 1 0.0
O5 O-2 0.2492 0.4192 -0.1314 1 0.0
Na3 Na+1 0.5837 0.75 0.0553 1 0.0
Na1 Na+1 0.5038 0.5911 0.28248 1 0.0
