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: T77
;
_database_code_amcsd 0005441
_chemical_compound_source 'East Africa'
_chemical_formula_sum 'Ca.716 Na.255 Mg3.186 Ti.033 V.201 Li.057 Cr.021 Al5.916 Si5.586 B3 F.915 O33.085 H6.085'
_cell_length_a 15.959
_cell_length_b 15.959
_cell_length_c 7.175
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1582.573
_exptl_crystal_density_diffrn      3.233
_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   0.71600   0.01360
NaX   0.00000   0.00000   0.84080   0.25500   0.01360
MgY   0.06313   0.93687   0.43660   0.89600   0.00600
TiY   0.06313   0.93687   0.43660   0.01100   0.00600
VY   0.06313   0.93687   0.43660   0.06700   0.00600
LiY   0.06313   0.93687   0.43660   0.01900   0.00600
CrY   0.06313   0.93687   0.43660   0.00700   0.00600
AlZ   0.26166   0.29801   0.45290   0.91700   0.00540
MgZ   0.26166   0.29801   0.45290   0.08300   0.00540
Si   0.19040   0.19216   0.06570   0.93100   0.00570
Al   0.19040   0.19216   0.06570   0.06900   0.00570
B   0.89020   0.10980   0.61440   1.00000   0.00690
F1   0.00000   0.00000   0.29190   0.91500   0.01040
O-H1   0.00000   0.00000   0.29190   0.08500   0.01040
O2   0.93938   0.06062   0.59140   1.00000   0.00990
O-H3   0.13382   0.86672   0.55590   1.00000   0.00940
O4   0.90777   0.09223  -0.00660   1.00000   0.01130
O5   0.09101   0.90899  -0.02790   1.00000   0.01110
O6   0.18680   0.19610   0.28920   1.00000   0.00840
O7   0.28540   0.28570  -0.01540   1.00000   0.00880
O8   0.27020   0.20940   0.62380   1.00000   0.00910