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: T73
;
_database_code_amcsd 0005437
_chemical_compound_source 'East Africa'
_chemical_formula_sum 'Ca.762 Na.229 Mg3.327 Ti.027 V.024 Li.06 Cr.003 Al5.892 Si5.664 B3 F.832 O30.168 H3.168'
_cell_length_a 15.950
_cell_length_b 15.950
_cell_length_c 7.174
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1580.569
_exptl_crystal_density_diffrn      3.063
_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   0.76200   0.01360
NaX   0.00000   0.00000   0.84080   0.22900   0.01360
MgY   0.06326   0.93674   0.43840   0.96100   0.00590
TiY   0.06326   0.93674   0.43840   0.00900   0.00590
VY   0.06326   0.93674   0.43840   0.00800   0.00590
LiY   0.06326   0.93674   0.43840   0.02000   0.00590
CrY   0.06326   0.93674   0.43840   0.00100   0.00590
AlZ   0.26165   0.29806   0.45350   0.92600   0.00550
MgZ   0.26165   0.29806   0.45350   0.07400   0.00550
Si   0.19043   0.19224   0.06690   0.94400   0.00510
Al   0.19043   0.19224   0.06690   0.05600   0.00510
B   0.89030   0.10970   0.61500   1.00000   0.00710
F1   0.00000   0.00000   0.29300   0.83200   0.00830
O-H1   0.00000   0.00000   0.29300   0.16800   0.00830
O2   0.93953   0.06047   0.59210   1.00000   0.00940
O-H3   0.13410   0.86590   0.55610   1.00000   0.00900
O4   0.90793   0.09207  -0.00570   1.00000   0.01100
O5   0.09099   0.90901  -0.02700   1.00000   0.01180
O6   0.18710   0.19620   0.29010   1.00000   0.00840
O7   0.28497   0.28540  -0.01470   1.00000   0.00810
O8   0.27030   0.20930   0.62450   1.00000   0.00830