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: T75
;
_database_code_amcsd 0005439
_chemical_compound_source 'East Africa'
_chemical_formula_sum 'Ca.768 Na.205 Mg3.108 Ti.033 V.06 Li.111 Cr.006 Al6.132 Si5.55 B3 F.737 O30.263 H3.263'
_cell_length_a 15.940
_cell_length_b 15.940
_cell_length_c 7.163
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1576.167
_exptl_crystal_density_diffrn      3.072
_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   0.76800   0.01360
NaX   0.00000   0.00000   0.84080   0.20500   0.01360
MgY   0.06305   0.93695   0.43560   0.93000   0.00680
TiY   0.06305   0.93695   0.43560   0.01100   0.00680
VY   0.06305   0.93695   0.43560   0.02000   0.00680
LiY   0.06305   0.93695   0.43560   0.03700   0.00680
CrY   0.06305   0.93695   0.43560   0.00200   0.00680
AlZ   0.26155   0.29793   0.45250   0.94700   0.00580
MgZ   0.26155   0.29793   0.45250   0.05300   0.00580
Si   0.19044   0.19229   0.06520   0.92500   0.00570
Al   0.19044   0.19229   0.06520   0.07500   0.00570
B   0.89020   0.10980   0.61450   1.00000   0.00640
F1   0.00000   0.00000   0.29070   0.73700   0.00860
O-H1   0.00000   0.00000   0.29070   0.26300   0.00860
O2   0.93950   0.06050   0.59070   1.00000   0.00990
O-H3   0.13390   0.86610   0.55520   1.00000   0.00930
O4   0.90783   0.09217  -0.00750   1.00000   0.01190
O5   0.09092   0.90908  -0.02910   1.00000   0.01180
O6   0.18690   0.19630   0.28900   1.00000   0.00860
O7   0.28530   0.28590  -0.01580   1.00000   0.00860
O8   0.27010   0.20920   0.62370   1.00000   0.00900