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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/18/1531805.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_1531805
loop_
_publ_author_name
'Lidin, S.'
'Rohrer, F.'
'Larsson, A.K.'
_publ_section_title
;
 The structure of Nb5 O12 F
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              767
_journal_page_last               772
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'F0.125 O0.875'
_chemical_name_systematic        'O0.875 F0.125'
_space_group_IT_number           51
_symmetry_space_group_name_Hall  '-P 2c 2'
_symmetry_space_group_name_H-M   'P m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.936
_cell_length_b                   6.153
_cell_length_c                   2.28
_cell_volume                     55.218
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Lidin_SSSCFJ_2002_938.cif
_cod_data_source_block           F0.125O0.875
_cod_original_cell_volume        55.21751
_cod_original_sg_symbol_Hall     '-P 2a 2a (y,z,x)'
_cod_database_code               1531805
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,z+1/2
x,-y,-z
-x,-y,-z
x,-y,z-1/2
x,y,-z-1/2
-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
O1 O 0 0.25 0.25 0.4375 0.0
F1 F 0 0.25 0.25 0.0625 0.0