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=0.742 from Kragero, Norway
 Sample: Annealed at T = 530 C for t = 92 h
 Note: Occupancies calculated assuming complete Fe/Mn disorder
;
_database_code_amcsd 0003862
_chemical_formula_sum 'Mn.786 Nb1.775 Fe.14 Ta.178 Ti.032 Ca.008 O6'
_cell_length_a 14.334
_cell_length_b 5.737
_cell_length_c 5.096
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 419.065
_exptl_crystal_density_diffrn      5.484
_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   0.32200   0.25000   0.64800   0.00980
NbA   0.00000   0.32200   0.25000   0.12300   0.00980
FeA   0.00000   0.32200   0.25000   0.11600   0.00980
TaA   0.00000   0.32200   0.25000   0.04400   0.00980
TiA   0.00000   0.32200   0.25000   0.02800   0.00980
CaA   0.00000   0.32200   0.25000   0.00800   0.00980
NbB   0.16367   0.17764   0.74094   0.82600   0.00760
MnB   0.16367   0.17764   0.74094   0.06900   0.00760
TaB   0.16367   0.17764   0.74094   0.06700   0.00760
FeB   0.16367   0.17764   0.74094   0.01200   0.00760
TiB   0.16367   0.17764   0.74094   0.00200   0.00760
O1   0.09620   0.10370   0.06270   1.00000   0.01350
O2   0.41910   0.11550   0.09280   1.00000   0.01250
O3   0.75668   0.12330   0.08910   1.00000   0.01020