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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/11/4031171.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_4031171
loop_
_publ_author_name
'Ruiz, A.I.'
'Lopez, M.L.'
'Pico, C.'
'Veiga, M.L.'
_publ_section_title
;
 Structural and electrical characterisation of the series La1.33 Nax Mnx
 Ti2-x O6
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              659
_journal_page_last               664
_journal_volume                  2000
_journal_year                    2000
_chemical_formula_sum            'La1.33 Mn0.66 Na0.66 O6 Ti1.34'
_chemical_name_systematic        '(La1.33 Na0.66) (Mn0.66 Ti1.34) O6'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2c 2c'
_symmetry_space_group_name_H-M   'I b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4881
_cell_length_b                   5.4757
_cell_length_c                   7.7407
_cell_volume                     232.617
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            Ruiz_EJICFO_2000_1083.cif
_cod_data_source_block           La1.33Mn0.66Na0.66O6Ti1.34
_cod_original_cell_volume        232.6172
_cod_original_sg_symbol_Hall     '-I 2b 2 (z,x,y)'
_cod_database_code               4031171
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z+1/2
-x,y,-z
-x,-y,z+1/2
-x,-y,-z
-x,y,z-1/2
x,-y,z
x,y,-z-1/2
x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1
-x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z+1/2
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
Ti1 Ti+4 0 0.5 0 0.67 0.0
O1 O-2 0.0481 0.5 0.25 1 0.0
O2 O-2 0.75 0.25 0.0214 1 0.0
La1 La+3 0.0042 0 0.25 0.665 0.0
Mn1 Mn+3 0 0.5 0 0.33 0.0
Na1 Na+1 0.0042 0 0.25 0.33 0.0
