#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310454.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310454
loop_
_publ_author_name
'Mumme, W.G.'
'Wadsley, A.D.'
_publ_section_title
;
 The crystal structure of Na Ti2 Al5 O12
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              754
_journal_page_last               758
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'Al5 Na O12 Ti2'
_chemical_name_systematic        'Na Ti2 Al5 O12'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.08
_cell_length_b                   15.519
_cell_length_c                   2.919
_cell_volume                     411.324
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Mumme_ACCRA9_1967_1395.cif
_cod_data_source_block           Al5Na1O12Ti2
_cod_original_cell_volume        411.3236
_cod_original_formula_sum        'Al5 Na1 O12 Ti2'
_cod_database_code               2310454
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-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
O5 O-2 0.11 0.3534 0.5 1 0.0
Al2 Al+3 0.0098 0.2999 0 1 0.0
O4 O-2 0.3902 0.2481 0.5 1 0.0
Ti1 Ti+4 0.2294 0.1449 0.5 1 0.0
O1 O-2 0.105 0.0513 0.5 1 0.0
O2 O-2 0.3638 0.1108 0 1 0.0
O6 O-2 0.3662 0.4072 0 1 0.0
Al3 Al+3 0.3069 0.3553 0.5 1 0.0
Na1 Na+1 0 0.5 0.5 1 0.0
O3 O-2 0.1319 0.2059 0 1 0.0
Al1 Al+3 0 0 0 1 0.0
