data_global
_chemical_name_mineral 'Fluor-uvite'
loop_
_publ_author_name
'MacDonald D J'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 33 
_journal_year 1995
_journal_page_first 849
_journal_page_last 858
_publ_section_title
;
 The crystal chemistry of Si=Al substitution in tourmaline
 Sample: T76
;
_database_code_amcsd 0005440
_chemical_compound_source 'East Africa'
_chemical_formula_sum 'Ca.595 Na.362 Mg3.201 Ti.021 V.111 Li.09 Cr.009 Al5.76 Si5.808 B3 F.784 O30.216 H3.216'
_cell_length_a 15.938
_cell_length_b 15.938
_cell_length_c 7.179
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1579.291
_exptl_crystal_density_diffrn      3.061
_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
CaX   0.00000   0.00000   0.84080   0.59500   0.01500
NaX   0.00000   0.00000   0.84080   0.36200   0.01500
MgY   0.06302   0.93698   0.43760   0.92300   0.00630
TiY   0.06302   0.93698   0.43760   0.00700   0.00630
VY   0.06302   0.93698   0.43760   0.03700   0.00630
LiY   0.06302   0.93698   0.43760   0.03000   0.00630
CrY   0.06302   0.93698   0.43760   0.00300   0.00630
AlZ   0.26160   0.29802   0.45440   0.92800   0.00520
MgZ   0.26160   0.29802   0.45440   0.07200   0.00520
Si   0.19022   0.19201   0.06760   0.96800   0.00520
Al   0.19022   0.19201   0.06760   0.03200   0.00520
B   0.89020   0.10980   0.61530   1.00000   0.00750
F1   0.00000   0.00000   0.29430   0.78400   0.00490
O-H1   0.00000   0.00000   0.29430   0.21600   0.00490
O2   0.93941   0.06059   0.59030   1.00000   0.01180
O-H3   0.13371   0.86629   0.55660   1.00000   0.01060
O4   0.90754   0.09246  -0.00500   1.00000   0.01030
O5   0.09128   0.90872  -0.02580   1.00000   0.01070
O6   0.18640   0.19580   0.29030   1.00000   0.00830
O7   0.28500   0.28510  -0.01380   1.00000   0.00860
O8   0.27030   0.20970   0.62570   1.00000   0.00940