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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/03/1530325.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_1530325
loop_
_publ_author_name
'Lundberg, M.'
'Savborg, O.'
_publ_section_title
;
 The crystal structure of Cu Nb O3 F
;
_journal_name_full               'Chemica Scripta'
_journal_page_first              197
_journal_page_last               200
_journal_volume                  13
_journal_year                    1979
_chemical_formula_sum            'Cu F Nb O3'
_chemical_name_systematic        'Cu Nb O3 F'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.39
_cell_angle_beta                 85.19
_cell_angle_gamma                123.81
_cell_formula_units_Z            2
_cell_length_a                   7.305
_cell_length_b                   6.594
_cell_length_c                   3.7662
_cell_volume                     149.270
_citation_journal_id_ASTM        CSRPB9
_cod_data_source_file            Lundberg_CSRPB9_1979_424.cif
_cod_data_source_block           Cu1F1Nb1O3
_cod_original_cell_volume        149.2702
_cod_original_formula_sum        'Cu1 F1 Nb1 O3'
_cod_database_code               1530325
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-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
Cu1 Cu+2 0.6478 0.4541 0.2875 1 0.0
O3 O-2 0.3049 0.7991 0.7178 1 0.0
O2 O-2 0.396 0.2822 0.6806 1 0.0
Nb1 Nb+5 0.1629 -0.0556 -0.2655 1 0.0
O1 O-2 0.079 -0.0663 0.2483 1 0.0
F1 F-1 0.848 0.6057 0.8282 1 0.0
