data_global
_chemical_name_mineral 'Columbite-(Mn)'
loop_
_publ_author_name
'Tarantino S C'
'Zema M'
_journal_name_full 'American Mineralogist'
_journal_volume 90 
_journal_year 2005
_journal_page_first 1291
_journal_page_last 1300
_publ_section_title
;
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: KRA n4 Qm=0.674 from Kragero, Norway
 Sample: Annealed at T = 500 C for t = 15 h
 Note: Occupancies calculated assuming complete Fe/Mn disorder
;
_database_code_amcsd 0003861
_chemical_formula_sum 'Mn.786 Fe.142 Nb1.775 Ta.178 Ti.03 Ca.008 O6'
_cell_length_a 14.344
_cell_length_b 5.739
_cell_length_c 5.105
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 420.245
_exptl_crystal_density_diffrn      5.468
_symmetry_space_group_name_H-M 'P b c n'
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
_atom_site_U_iso_or_equiv
MnA   0.00000   0.32241   0.25000   0.61200   0.00970
FeA   0.00000   0.32241   0.25000   0.11000   0.00970
NbA   0.00000   0.32241   0.25000   0.16700   0.00970
TaA   0.00000   0.32241   0.25000   0.04200   0.00970
TiA   0.00000   0.32241   0.25000   0.02600   0.00970
CaA   0.00000   0.32241   0.25000   0.00800   0.00970
NbB   0.16371   0.17733   0.74098   0.80400   0.00760
MnB   0.16371   0.17733   0.74098   0.08700   0.00760
TaB   0.16371   0.17733   0.74098   0.06800   0.00760
FeB   0.16371   0.17733   0.74098   0.01600   0.00760
TiB   0.16371   0.17733   0.74098   0.00200   0.00760
O1   0.09590   0.10410   0.06320   1.00000   0.01400
O2   0.41880   0.11630   0.09270   1.00000   0.01240
O3   0.75630   0.12340   0.08880   1.00000   0.01100