data_global
_chemical_name_mineral 'Foitite'
loop_
_publ_author_name
'Kahlenberg V'
'Velickov B'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 12 
_journal_year 2000
_journal_page_first 947
_journal_page_last 953
_publ_section_title
;
 Structural investigations on a synthetic alkali-free
 hydrogen-deficient Fe-tourmaline (foitite)
 Locvality: synthetic
;
_database_code_amcsd 0006843
_chemical_formula_sum 'Fe1.581 Al7.419 Si6 B3 O31 H3.58'
_cell_length_a 15.964
_cell_length_b 15.964
_cell_length_c 7.119
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1571.206
_exptl_crystal_density_diffrn      3.136
_symmetry_space_group_name_H-M 'R 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+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
FeY   0.93780   0.06220   0.55190   0.52700   0.00900
AlY   0.93780   0.06220   0.55190   0.47300   0.00900
AlZ   0.73850   0.70200   0.53650   1.00000   0.00600
SiT   0.81040   0.80830   0.92820   1.00000   0.00800
B   0.11020   0.88980   0.38170   1.00000   0.00800
O1   0.00000   0.00000   0.70370   0.42000   0.02700
O-H1   0.00000   0.00000   0.70370   0.58000   0.02700
O2   0.06190   0.93810   0.42040   1.00000   0.01600
O-h3   0.86730   0.13270   0.43330   1.00000   0.01300
O4   0.09430   0.90570   0.99530   1.00000   0.01200
O5   0.90510   0.09490   0.01940   1.00000   0.01100
O6   0.81380   0.80270   0.70180   1.00000   0.00900
O7   0.71390   0.71460   0.00470   1.00000   0.00800
O8   0.72920   0.79010   0.36660   1.00000   0.00900
H3   0.86900   0.13100   0.30000   1.00000   0.03000