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: T80
;
_database_code_amcsd 0005444
_chemical_compound_source 'East Africa'
_chemical_formula_sum 'Ca.746 Na.221 Mg3.21 Ti.027 V.162 Li.066 Cr.015 Al5.916 Si5.604 B3 F.854 O30.146 H3.146'
_cell_length_a 15.957
_cell_length_b 15.957
_cell_length_c 7.175
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1582.177
_exptl_crystal_density_diffrn      3.070
_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   0.74600   0.01370
NaX   0.00000   0.00000   0.84080   0.22100   0.01370
MgY   0.06322   0.93678   0.43750   0.91000   0.00620
TiY   0.06322   0.93678   0.43750   0.00900   0.00620
VY   0.06322   0.93678   0.43750   0.05400   0.00620
LiY   0.06322   0.93678   0.43750   0.02200   0.00620
CrY   0.06322   0.93678   0.43750   0.00500   0.00620
AlZ   0.26159   0.29800   0.45300   0.92000   0.00550
MgZ   0.26159   0.29800   0.45300   0.08000   0.00550
Si   0.19043   0.19223   0.06620   0.93400   0.00560
Al   0.19043   0.19223   0.06620   0.06600   0.00560
B   0.89020   0.10980   0.61430   1.00000   0.00710
F1   0.00000   0.00000   0.29240   0.85400   0.00850
O-H1   0.00000   0.00000   0.29240   0.14600   0.00850
O2   0.93957   0.06043   0.59160   1.00000   0.00990
O-H3   0.13402   0.86598   0.55590   1.00000   0.00910
O4   0.90779   0.09221  -0.00674   1.00000   0.01150
O5   0.09091   0.90909  -0.02790   1.00000   0.01110
O6   0.18708   0.19627   0.28973   1.00000   0.00840
O7   0.28518   0.28567  -0.01532   1.00000   0.00880
O8   0.27027   0.20945   0.62417   1.00000   0.00900