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#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/71/1537152.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_1537152
loop_
_publ_author_name
'Zubkov, V.G.'
'Perelyaev, V.A.'
'Berger, I.F.'
'Shveikin, G.P.'
'Voronin, V.I.'
'Kontsevaya, I.A.'
_publ_section_title
;
 Neutron scattering study of the niobium monoxide intergrowth phases in
 niobium bronze.
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              615
_journal_page_last               618
_journal_volume                  312
_journal_year                    1990
_chemical_formula_sum            'Ba Nb4 O5.48'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.189
_cell_length_b                   4.189
_cell_length_c                   8.221
_cell_volume                     144.260
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Zubkov_DANKAS_1990_1065.cif
_cod_data_source_block           Ba1Nb4O5.48
_cod_original_cell_volume        144.2598
_cod_original_formula_sum        'Ba1 Nb4 O5.48'
_cod_database_code               1537152
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
O3 O-2 0 0 0.5 0.932 0.0
Nb1 Nb+2 0.5 0 0.5 1 0.0
O2 O-2 0.5 0 0.2442 0.903 0.0
Ba1 Ba+2 0 0 0 1 0.0
O1 O-2 0.5 0.5 0 0.936 0.0
Nb2 Nb+2 0.5 0.5 0.2467 1 0.0
