#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/08/1540848.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_1540848
loop_
_publ_author_name
'Wenger, M.'
'Armbruster, T.'
_publ_section_title
;
 Columbite (Fe,Mn)(Nb,Ta)2O6 in the pegmatites of the calc-alkine Bergell
 intrusion (southeast Central Alps)
;
_journal_name_full
;
Schweizerische Mineralogische und Petrographische Mitteilungen
;
_journal_page_first              349
_journal_page_last               369
_journal_volume                  71
_journal_year                    1991
_chemical_formula_sum            'Fe Nb1.54 O6 Ta0.46'
_chemical_name_systematic        'Fe (Nb1.54 Ta.46) O6'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.317
_cell_length_b                   5.74
_cell_length_c                   5.067
_cell_volume                     416.404
_citation_journal_id_ASTM        SMPTA8
_cod_data_source_file            Wenger_SMPTA8_1991_1585.cif
_cod_data_source_block           Fe1Nb1.54O6Ta0.46
_cod_original_cell_volume        416.4039
_cod_original_formula_sum        'Fe1 Nb1.54 O6 Ta0.46'
_cod_database_code               1540848
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x,y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
-x-1/2,y-1/2,z
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
Nb2 Nb+5 0.16209 0.17906 0.74418 0.713 0.0
O2 O-2 0.4182 0.1171 0.097 1 0.0
Ta1 Ta+5 0 0.3263 0.25 0.034 0.0
O1 O-2 0.098 0.1014 0.0654 1 0.0
Ta2 Ta+5 0.16209 0.17906 0.74418 0.213 0.0
O3 O-2 0.7562 0.1252 0.0854 1 0.0
Fe1 Fe+2 0 0.3263 0.25 0.852 0.0
Fe2 Fe+2 0.16209 0.17906 0.74418 0.074 0.0
Nb1 Nb+5 0 0.3263 0.25 0.114 0.0
