#------------------------------------------------------------------------------
#$Date: 2015-07-13 22:44:04 +0300 (Mon, 13 Jul 2015) $
#$Revision: 151061 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/86/1528601.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_1528601
loop_
_publ_author_name
'Jahnberg, L.'
_publ_section_title
;
 Crystal structure of Na2 Nb4 O11 and Ca Ta4 O11
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              454
_journal_page_last               462
_journal_volume                  1
_journal_year                    1970
_chemical_formula_sum            'Na2 Nb4 O11'
_chemical_name_systematic        'Na2 (Nb4 O11)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.37
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.84
_cell_length_b                   6.162
_cell_length_c                   12.745
_cell_volume                     816.805
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Jahnberg_JSSCBI_1970_1919.cif
_cod_data_source_block           Na2Nb4O11
_cod_original_cell_volume        816.8051
_cod_database_code               1528601
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,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
x+1/2,-y+1/2,z-1/2
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
Nb1 Nb+5 0.1825 0.5658 0.2199 1 0.0
O2 O-2 0.157 0.601 0.09 1 0.0
O6 O-2 0 0.505 0.25 1 0.0
O5 O-2 0.159 0.254 0.218 1 0.0
Nb3 Nb+5 0.25 0.25 0.5 1 0.0
Na1 Na+1 0.082 0.253 0.996 1 0.0
O3 O-2 0.081 0.135 0.41 1 0.0
Nb2 Nb+5 0 0.114 0.25 1 0.0
O4 O-2 0.125 0.88 0.251 1 0.0
O1 O-2 0.233 0.512 0.407 1 0.0
