data_global
_chemical_name_mineral 'Mannardite'
loop_
_publ_author_name
'Shi N'
'Ma Z'
'Liu W'
_journal_name_full 'Acta Petrologica et Mineralogica'
_journal_volume 10 
_journal_year 1991
_journal_page_first 233
_journal_page_last 245
_publ_section_title
;
 Crystal structure determination of ankangite with one dimensional incommensurate modulation
;
_database_code_amcsd 0018318
_chemical_compound_source 'Shiti barite deposit, Ankang County, Shaanxi, China'
_chemical_formula_sum 'Ba.295 (Ti1.3 V.7) O4'
_cell_length_a 10.139
_cell_length_b 10.139
_cell_length_c 2.961
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 304.389
_exptl_crystal_density_diffrn      4.417
_symmetry_space_group_name_H-M 'I 4/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-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
Ba   0.00000   0.00000   0.37900   0.29500   0.03293
Ti   0.16520   0.34940   0.00000   0.65000   0.00697
V   0.16520   0.34940   0.00000   0.35000   0.00697
O1   0.20260   0.15560   0.00000   1.00000   0.00545
O2   0.16730   0.53900   0.00000   1.00000   0.00722