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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/42/9014279.cif $
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#
# 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_9014279
loop_
_publ_author_name
'dos Santos, C. A.'
'Zawislak, L. I.'
'Kinast, E. J.'
'Antonietti, V.'
'da Cunha, J. B. M.'
_publ_section_title
;
 Crystal chemistry and structure of the orthorhombic
 (Fe,Mn)(Ta,Nb)2O6 family of compounds
 Note: Sample Mn0.88Fe0.09Ta1.72Nb0.28O6
;
_journal_name_full               'Brazilian Journal of Physics'
_journal_page_first              616
_journal_page_last               631
_journal_paper_doi               10.1590/S0103-97332001000400012
_journal_volume                  31
_journal_year                    2001
_chemical_compound_source        Brazil
_chemical_formula_sum            'Fe0.09 Mn0.88 Nb0.28 O6 Ta1.72'
_chemical_name_mineral           Tantalite-(Mn)
_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_length_a                   14.3196
_cell_length_b                   5.7413
_cell_length_c                   5.0624
_cell_formula_units_Z            4
_cell_volume                     416.196
_database_code_amcsd             0018628
_exptl_crystal_density_diffrn    7.766
_cod_original_formula_sum        'Mn.88 Fe.09 (Ta1.72 Nb.28) O6'
_cod_database_code               9014279
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn 0.00000 0.32700 0.25000 0.88000
Fe 0.00000 0.32700 0.25000 0.09000
Ta 0.16180 0.18120 0.74300 0.86000
Nb 0.16180 0.18120 0.74300 0.14000
O1 0.09900 0.10200 0.06700 1.00000
O2 0.41900 0.11500 0.07200 1.00000
O3 0.76900 0.12600 0.09900 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018628