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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/1/52/22/1522265.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_1522265
loop_
_publ_author_name
'Yamada, H.'
'Hibino, M.'
'Kudo, T.'
_publ_section_title
;
 Li-intercalated (Re O3)-type solid solutions in the Nb2 O5 W O3 system
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              955
_journal_page_last               962
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'Nb0.118 O2.941 W0.882'
_chemical_name_systematic        '(Nb0.118 W0.882) O2.941'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.2961
_cell_length_b                   5.2961
_cell_length_c                   3.8534
_cell_volume                     108.083
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Yamada_MRBUAC_1999_540.cif
_cod_data_source_block           Nb0.118O2.941W0.882
_cod_original_cell_volume        108.0828
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_database_code               1522265
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z
-x,-y,z
y+1/2,-x+1/2,z
x+1/2,-y+1/2,-z
y,x,-z
-x+1/2,y+1/2,-z
-y,-x,-z
-x+1/2,-y+1/2,-z
y,-x,-z
x+1/2,y+1/2,-z
-y,x,-z
-x,y,z
-y+1/2,-x+1/2,z
x,-y,z
y+1/2,x+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
W1 W+6 0 0.5 0.068 0.882 0.0
O1 O-2 0 0.5 0.568 0.9803 0.0
Nb1 Nb+5 0 0.5 0.068 0.118 0.0
O2 O-2 0.25 0.25 0 0.9803 0.0
