#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/54/1535464.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_1535464
loop_
_publ_author_name
'Moeller, A.'
_publ_section_title
;
 Synthesis, crystal structure, and spectroscopic characterisation of Na5
 (Ni O2) (C o3), containing the linear (Ni O2)(3-) group with monovalent
 nickel
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'C Na5 Ni O5'
_chemical_name_systematic        'Na5 (C O3) (Ni O2)'
_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                   4.6235
_cell_length_b                   4.6235
_cell_length_c                   8.3087
_cell_volume                     177.613
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Moeller_ZAACAB_2001_180.cif
_cod_data_source_block           C1Na5Ni1O5
_cod_original_formula_sum        'C1 Na5 Ni1 O5'
_cod_database_code               1535464
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 0.5 1 0.0
O3 O-2 0.5 -0.7976 0.5 0.5 0.0
O2 O-2 0.5 0.5 0.3406 0.5 0.0
Na2 Na+1 0 0.5 0.7587 1 0.0
C1 C+4 0.5 0.5 0.5 1 0.0
Ni1 Ni+1 0 0 0 1 0.0
O1 O-2 0 0 0.2133 1 0.0
