#------------------------------------------------------------------------------
#$Date: 2015-10-11 18:07:33 +0300 (Sun, 11 Oct 2015) $
#$Revision: 165837 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/75/1537584.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_1537584
loop_
_publ_author_name
'Li, C.'
'Saunders, S.'
'Reid, A.F.'
_publ_section_title
;
 Nonstoichiometric Alkali Ferrites and Aluminates in the Systems Na Fe O2
 - Ti O2, K Fe O2 - Ti O2, K Al O2 - Ti O2, and K Al O2 - Si O2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              614
_journal_page_last               620
_journal_volume                  3
_journal_year                    1971
_chemical_formula_sum            'Fe0.75 Na0.75 O2 Ti0.25'
_chemical_name_systematic        'Na.75 Fe.75 Ti.25 O2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3
_cell_length_b                   3
_cell_length_c                   16.41
_cell_volume                     127.903
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Li_JSSCBI_1971_1815.cif
_cod_data_source_block           Fe0.75Na0.75O2Ti0.25
_cod_original_cell_volume        127.9033
_cod_database_code               1537584
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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 0.75 0.0
O1 O-2 0 0 0.2309 1 0.0
Ti1 Ti+4 0 0 0.5 0.25 0.0
Fe1 Fe+3 0 0 0.5 0.75 0.0
