#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/46/4124631.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_4124631
loop_
_publ_author_name
'Carter, G.F.'
'Templeton, D.H.'
_publ_section_title
;
 Polymorphism of sodium superoxide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5247
_journal_page_last               5249
_journal_volume                  75
_journal_year                    1953
_chemical_formula_sum            'Na O2'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.26
_cell_length_b                   5.54
_cell_length_c                   3.44
_cell_volume                     81.185
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Carter_JACSAT_1953_1431.cif
_cod_data_source_block           Na1O2
_cod_original_cell_volume        81.18538
_cod_original_formula_sum        'Na1 O2'
_cod_database_code               4124631
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z-1/2
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
Na1 Na+1 0 0 0 1 0.0
O1 O 0.12 0.43 0 1 0.0
