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#$Date: 2015-07-12 19:45:49 +0300 (Sun, 12 Jul 2015) $
#$Revision: 147584 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/64/1526405.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_1526405
loop_
_publ_author_name
'Ruiz, A.I.'
'Ezquerra, T.A.'
'Pico, C.'
'Lopez, M.L.'
'Veiga, M.L.'
_publ_section_title
;
 Electrical behaviour of the system La1.33 Nax Mnx Ti2-x O6 (x = 0.66,
 0.55 and 0.44)
;
_journal_name_full
'International Journal of Inorganic Materials'
_journal_page_first              655
_journal_page_last               659
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'La1.33 Mn0.44 Na0.44 O6 Ti1.56'
_chemical_name_systematic        'La1.33 Na0.44 Mn0.44 Ti1.56 O6'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.4975
_cell_length_b                   5.4975
_cell_length_c                   13.433
_cell_volume                     351.588
_citation_journal_id_ASTM        IJIMCR
_cod_data_source_file            Ruiz_IJIMCR_2001_1055.cif
_cod_data_source_block           La1.33Mn0.44Na0.44O6Ti1.56
_cod_database_code               1526405
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
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+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-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-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
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+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-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+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
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
Mn1 Mn+3 0 0 0 0.195 0.0
Mn2 Mn+4 0 0 0 0.025 0.0
Ti1 Ti+3 0 0 0 0.78 0.0
Na1 Na+1 0 0 0.25 0.22 0.0
La1 La+3 0 0 0.25 0.665 0.0
O1 O-2 0.4654 0 0.25 1 0.0
