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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007495.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_9007495
loop_
_publ_author_name
'Klein, S.'
'Weitzel, H.'
_publ_section_title
;
 Magnetische struktur von Mn(Nb0.5Ta0.5)2O6, manganotantalit
 Note: columbite structure
;
_journal_name_full               'Acta Crystallographica, Section A'
_journal_page_first              587
_journal_page_last               591
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Mn Nb O6 Ta'
_chemical_name_mineral           Manganotantalite
_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                   14.418
_cell_length_b                   5.76
_cell_length_c                   5.099
_cell_volume                     423.460
_exptl_crystal_density_diffrn    6.663
_[local]_cod_chemical_formula_sum_orig 'Mn (Nb Ta) O6'
_cod_database_code               9007495
_amcsd_database_code             AMCSD#0009252
loop_
_symmetry_equiv_pos_as_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
_atom_site_U_iso_or_equiv
Mn 0.00000 0.17690 0.25000 1.00000 0.00722
Nb 0.16275 0.32330 0.76430 0.50000 0.00431
Ta 0.16275 0.32330 0.76430 0.50000 0.00431
O1 0.09930 0.40190 0.44220 1.00000 0.00633
O2 0.08280 0.11590 0.90220 1.00000 0.00773
O3 0.25620 0.12660 0.59130 1.00000 0.00659