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#$Date: 2015-07-13 00:53:16 +0200 (lun 13 de jul de 2015) $
#$Revision: 148387 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/03/2310331.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_2310331
loop_
_publ_author_name
'Andersson, S.'
'Wadsley, A.D.'
_publ_section_title
;
 The crystal structure of Na2 Ti3 O7
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              1245
_journal_page_last               1249
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Na2 O7 Ti3'
_chemical_name_systematic        'Na2 (Ti3 O7)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.57
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.571
_cell_length_b                   3.804
_cell_length_c                   9.135
_cell_volume                     291.786
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Andersson_ACCRA9_1961_1471.cif
_cod_data_source_block           Na2O7Ti3
_cod_original_cell_volume        291.7863
_cod_database_code               2310331
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-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
Na1 Na+1 0.682 0.25 0.595 1 0.0
O5 O-2 0.997 0.25 0.745 1 0.0
O1 O-2 0.221 0.25 0.195 1 0.0
O6 O-2 0.791 0.25 0.313 1 0.0
Ti2 Ti+4 0.2467 0.25 0.673 1 0.0
Ti3 Ti+4 0.142 0.25 0.9811 1 0.0
O7 O-2 0.905 0.25 0.031 1 0.0
O3 O-2 0.438 0.25 0.645 1 0.0
O2 O-2 0.14 0.25 0.473 1 0.0
Na2 Na+1 0.508 0.25 0.154 1 0.0
Ti1 Ti+4 0.0278 0.25 0.2806 1 0.0
O4 O-2 0.314 0.25 0.885 1 0.0
