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: T74
;
_database_code_amcsd 0005438
_chemical_compound_source 'East Africa'
_chemical_formula_sum 'Ca.697 Na.288 Mg3.291 Ti.027 V.051 Li.075 Cr.006 Al5.814 Si5.736 B3 F.835 O30.165 H3.165'
_cell_length_a 15.940
_cell_length_b 15.940
_cell_length_c 7.177
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1579.247
_exptl_crystal_density_diffrn      3.064
_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   0.69700   0.01370
NaX   0.00000   0.00000   0.84080   0.28800   0.01370
MgY   0.06324   0.93676   0.43880   0.94700   0.00660
TiY   0.06324   0.93676   0.43880   0.00900   0.00660
VY   0.06324   0.93676   0.43880   0.01700   0.00660
LiY   0.06324   0.93676   0.43880   0.02500   0.00660
CrY   0.06324   0.93676   0.43880   0.00200   0.00660
AlZ   0.26165   0.29799   0.45410   0.92500   0.00600
MgZ   0.26165   0.29799   0.45410   0.07500   0.00600
Si   0.19035   0.19211   0.06720   0.95600   0.00580
Al   0.19035   0.19211   0.06720   0.04400   0.00580
B   0.89010   0.10990   0.61550   1.00000   0.00710
F1   0.00000   0.00000   0.29280   0.83500   0.01020
O-H1   0.00000   0.00000   0.29280   0.16500   0.01020
O2   0.93930   0.06070   0.59290   1.00000   0.01050
O-H3   0.13410   0.86590   0.55740   1.00000   0.00940
O4   0.90760   0.09240  -0.00520   1.00000   0.01140
O5   0.09090   0.90910  -0.02630   1.00000   0.01080
O6   0.18690   0.19620   0.29020   1.00000   0.00860
O7   0.28500   0.28540  -0.01430   1.00000   0.00870
O8   0.27030   0.20960   0.62480   1.00000   0.00950