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: T78
;
_database_code_amcsd 0005442
_chemical_compound_source 'East Africa'
_chemical_formula_sum 'Ca.774 Na.202 Mg3.141 Ti.036 V.126 Li.078 Cr.021 Al6.084 Si5.514 B3 F.808 O30.192 H3.192'
_cell_length_a 15.955
_cell_length_b 15.955
_cell_length_c 7.170
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1580.678
_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   0.77400   0.01340
NaX   0.00000   0.00000   0.84080   0.20200   0.01340
MgY   0.06326   0.93674   0.43720   0.91300   0.00520
TiY   0.06326   0.93674   0.43720   0.01200   0.00520
VY   0.06326   0.93674   0.43720   0.04200   0.00520
LiY   0.06326   0.93674   0.43720   0.02600   0.00520
CrY   0.06326   0.93674   0.43720   0.00700   0.00520
AlZ   0.26156   0.29796   0.45280   0.93300   0.00500
MgZ   0.26156   0.29796   0.45280   0.06700   0.00500
Si   0.19042   0.19220   0.06590   0.91900   0.00530
Al   0.19042   0.19220   0.06590   0.08100   0.00530
B   0.89019   0.10981   0.61430   1.00000   0.00740
F1   0.00000   0.00000   0.29100   0.80800   0.00840
O-H1   0.00000   0.00000   0.29100   0.19200   0.00840
O2   0.93950   0.06050   0.59180   1.00000   0.00930
O-H3   0.13403   0.86597   0.55590   1.00000   0.00840
O4   0.90773   0.09227  -0.00630   1.00000   0.01180
O5   0.09099   0.90901  -0.02780   1.00000   0.01120
O6   0.18706   0.19627   0.28940   1.00000   0.00840
O7   0.28528   0.28572  -0.01550   1.00000   0.00870
O8   0.27036   0.20939   0.62380   1.00000   0.00810