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=0.922 from Kragero, Norway
 Sample: Annealed at T = 700 C for t = 20 m
 Note: Occupancies calculated assuming complete Fe/Mn disorder
;
_database_code_amcsd 0003865
_chemical_formula_sum '(Mn.783 Fe.141 Ti.032 Nb1.775 Ta.178 Ca.009) O6'
_cell_length_a 14.380
_cell_length_b 5.745
_cell_length_c 5.088
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 420.335
_exptl_crystal_density_diffrn      5.466
_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   0.32071   0.25000   0.74100   0.00640
FeA   0.00000   0.32071   0.25000   0.13300   0.00640
TiA   0.00000   0.32071   0.25000   0.03200   0.00640
NbA   0.00000   0.32071   0.25000   0.02300   0.00640
TaA   0.00000   0.32071   0.25000   0.02800   0.00640
CaA   0.00000   0.32071   0.25000   0.00900   0.00640
NbB   0.16305   0.17880   0.73984   0.87600   0.00440
TaB   0.16305   0.17880   0.73984   0.07500   0.00440
MnB   0.16305   0.17880   0.73984   0.02100   0.00440
FeB   0.16305   0.17880   0.73984   0.00400   0.00440
O1   0.09720   0.10050   0.05970   1.00000   0.00910
O2   0.41810   0.11550   0.09570   1.00000   0.00940
O3   0.75620   0.12470   0.08970   1.00000   0.00690