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=0.817 from Kragero, Norway
 Sample: Annealed at T = 600 C for t = 67 h
 Note: Occupancies calculated assuming complete Fe/Mn disorder
;
_database_code_amcsd 0003863
_chemical_formula_sum 'Mn.785 Fe.141 Nb1.775 Ta.178 Ti.032 Ca.008 O6'
_cell_length_a 14.352
_cell_length_b 5.740
_cell_length_c 5.093
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 419.564
_exptl_crystal_density_diffrn      5.477
_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   0.32118   0.25000   0.68700   0.00870
FeA   0.00000   0.32118   0.25000   0.12300   0.00870
NbA   0.00000   0.32118   0.25000   0.07700   0.00870
TaA   0.00000   0.32118   0.25000   0.04000   0.00870
TiA   0.00000   0.32118   0.25000   0.03000   0.00870
CaA   0.00000   0.32118   0.25000   0.00800   0.00870
NbB   0.16339   0.17830   0.74020   0.84900   0.00660
TaB   0.16339   0.17830   0.74020   0.06900   0.00660
MnB   0.16339   0.17830   0.74020   0.04900   0.00660
FeB   0.16339   0.17830   0.74020   0.00900   0.00660
TiB   0.16339   0.17830   0.74020   0.00100   0.00660
O1   0.09674   0.10200   0.06040   1.00000   0.01210
O2   0.41849   0.11540   0.09340   1.00000   0.01180
O3   0.75638   0.12350   0.08840   1.00000   0.00950