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=0.565 from Kragero, Norway
 Note: Occupancies calculated assuming complete Fe/Mn disorder
;
_database_code_amcsd 0003860
_chemical_formula_sum 'Mn.789 Nb1.775 Fe.141 Ta.178 Ti.028 Ca.009 O6'
_cell_length_a 14.325
_cell_length_b 5.744
_cell_length_c 5.113
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 420.712
_exptl_crystal_density_diffrn      5.463
_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   0.32419   0.25000   0.55500   0.01110
NbA   0.00000   0.32419   0.25000   0.23500   0.01110
FeA   0.00000   0.32419   0.25000   0.09900   0.01110
TaA   0.00000   0.32419   0.25000   0.04600   0.01110
TiA   0.00000   0.32419   0.25000   0.02400   0.01110
CaA   0.00000   0.32419   0.25000   0.00900   0.01110
NbB   0.16390   0.17599   0.74219   0.77000   0.00730
MnB   0.16390   0.17599   0.74219   0.11700   0.00730
TaB   0.16390   0.17599   0.74219   0.06600   0.00730
FeB   0.16390   0.17599   0.74219   0.02100   0.00730
TiB   0.16390   0.17599   0.74219   0.00200   0.00730
O1   0.09580   0.10350   0.06450   1.00000   0.01320
O2   0.41980   0.11590   0.09250   1.00000   0.01250
O3   0.75690   0.12240   0.08800   1.00000   0.00990