#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/21/1542166.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_1542166
loop_
_publ_author_name
'Roth, H.F.'
'Meyer, G.'
'Kaindl, G.'
'Hu, Z.'
_publ_section_title
;
 Synthesis, structure, and X-ray absorption spectra of Lix Nb O2 and Nax
 Nb O3 (x<1)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1369
_journal_page_last               1373
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'Na Nb O2'
_chemical_name_systematic        'Na (Nb O2)'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   2.955
_cell_length_b                   2.955
_cell_length_c                   11.647
_cell_volume                     88.076
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Roth_ZAACAB_1993_1519.cif
_cod_data_source_block           Na1Nb1O2
_cod_original_cell_volume        88.07642
_cod_original_formula_sum        'Na1 Nb1 O2'
_cod_database_code               1542166
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
Nb1 Nb+3 0.6667 0.3333 0.25 1 0.0
O1 O-2 0.3333 0.6667 0.1418 1 0.0
Na1 Na+1 0 0 0 1 0.0
