#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/46/4124638.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_4124638
loop_
_publ_author_name
'Dyer, L.D.'
'Borie, B.S.'
'Smith, G.P.'
_publ_section_title
;
 Alkali metal-nickel oxides of the type M Ni O2
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1499
_journal_page_last               1503
_journal_volume                  76
_journal_year                    1954
_chemical_formula_sum            'Na Ni O2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.5
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.33
_cell_length_b                   2.86
_cell_length_c                   5.59
_cell_volume                     79.816
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Dyer_JACSAT_1954_1449.cif
_cod_data_source_block           Na1Ni1O2
_cod_original_cell_volume        79.8165
_cod_original_formula_sum        'Na1 Ni1 O2'
_cod_database_code               4124638
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
O1 O-2 0.278 0 0.795 1 0.0
Ni1 Ni+3 0 0 0 1 0.0
Na1 Na+1 0 0.5 0.5 1 0.0
