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: T72
;
_database_code_amcsd 0005436
_chemical_compound_source 'East Africa'
_chemical_formula_sum 'Ca.813 Na.173 Mg3.591 Ti.027 V.027 Li.024 Cr.003 Al5.514 Si5.814 B3 F.967 O30.033 H3.033'
_cell_length_a 15.949
_cell_length_b 15.949
_cell_length_c 7.188
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1583.455
_exptl_crystal_density_diffrn      3.062
_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   0.81300   0.01060
NaX   0.00000   0.00000   0.84080   0.17300   0.01060
MgY   0.06346   0.93654   0.44010   0.97300   0.00590
TiY   0.06346   0.93654   0.44010   0.00900   0.00590
VY   0.06346   0.93654   0.44010   0.00900   0.00590
LiY   0.06346   0.93654   0.44010   0.00800   0.00590
CrY   0.06346   0.93654   0.44010   0.00100   0.00590
AlZ   0.26171   0.29802   0.45460   0.88800   0.00550
MgZ   0.26171   0.29802   0.45460   0.11200   0.00550
Si   0.19044   0.19214   0.06860   0.96900   0.00540
Al   0.19044   0.19214   0.06860   0.03100   0.00540
B   0.89030   0.10970   0.61670   1.00000   0.00690
F1   0.00000   0.00000   0.29450   0.96700   0.00570
O-H1   0.00000   0.00000   0.29450   0.03300   0.00570
O2   0.93938   0.06062   0.59460   1.00000   0.01030
O-H3   0.13406   0.86594   0.55740   1.00000   0.00860
O4   0.90807   0.09193  -0.00400   1.00000   0.01030
O5   0.09067   0.90933  -0.02550   1.00000   0.00920
O6   0.18670   0.19583   0.29050   1.00000   0.00840
O7   0.28472   0.28525  -0.01370   1.00000   0.00910
O8   0.27020   0.20960   0.62540   1.00000   0.01020