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#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/94/9009419.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9009419
loop_
_publ_author_name
'Zubkova, N. V.'
'Pushcharovsky, D. Y.'
'Giester, G.'
'Smolin, A. S.'
'Tillmanns, E.'
'Brandstatter, F.'
'Hammer, V.'
'Peretyazhko, I. S.'
'Sapozhnikov, A. N.'
'Kashaev, A. A.'
_publ_section_title
;Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and
 their structural relation to the other ABO4 minerals with stibiotantalite
 (SbTaO4) structure Locality: Malkhan field, Central Transbaikalia, Russia
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              145
_journal_page_last               159
_journal_volume                  2002
_journal_year                    2002
_chemical_compound_source
'Malkhan field, Central Transbaikalia, Russia'
_chemical_formula_sum            'Bi Nb0.79 O4 Ta0.21'
_chemical_name_mineral           Bismutocolumbite
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.668
_cell_length_b                   11.725
_cell_length_c                   4.971
_cell_formula_units_Z            4
_cell_volume                     330.359
_database_code_amcsd             0014918
_exptl_crystal_density_diffrn    7.728
_cod_original_formula_sum        'Bi (Nb.79 Ta.21) O4'
_cod_database_code               9009419
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-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,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Bi 0.25000 0.50000 0.78030 1.00000 0.01840
Nb 0.34880 0.25000 0.25000 0.79000 0.00800
Ta 0.34880 0.25000 0.25000 0.21000 0.00800
O1 0.13920 0.30510 0.50460 1.00000 0.01310
O2 0.41430 0.09790 0.41240 1.00000 0.00920
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014918
