#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/03/1530326.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_1530326
loop_
_publ_author_name
'Lundberg, M.'
'Ndalamba Wa Ilunga, P.'
_publ_section_title
;
 The crystal structure of Cu0.6 Nb O2.6 F0.4 and its relation to the Mo O3
 structure type
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              118
_journal_page_last               124
_journal_volume                  18
_journal_year                    1981
_chemical_formula_sum            'Cu0.6 F0.4 Nb O2.6'
_chemical_name_systematic        'Cu0.6 Nb (O2.6 F0.4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.694
_cell_length_b                   3.944
_cell_length_c                   3.801
_cell_volume                     265.253
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Lundberg_RVCMA8_1981_717.cif
_cod_data_source_block           Cu0.6F0.4Nb1O2.6
_cod_original_cell_volume        265.2533
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Cu0.6 F0.4 Nb1 O2.6'
_cod_database_code               1530326
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-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
F2 F-1 0.1807 0.021 0.25 0.1333 0.0
F3 F-1 0.951 -0.0197 0.25 0.1333 0.0
O1 O-2 0.0713 0.5039 0.25 0.8667 0.0
O2 O-2 0.1807 0.021 0.25 0.8667 0.0
O3 O-2 0.951 -0.0197 0.25 0.8667 0.0
Cu1 Cu+1 0.2527 0.256 -0.0013 0.3 0.0
F1 F-1 0.0713 0.5039 0.25 0.1333 0.0
Nb1 Nb+5 0.0788 0.0073 0.25 1 0.0
