data_global
_chemical_name_mineral 'Fluor-tsilaisite'
loop_
_publ_author_name
'Ertl A'
'Kolitsch U'
'Dyar M D'
'Hughes J M'
'Rossman G R'
'Pieczka A'
'Henry D J'
'Pezzotta F'
'Prowatke S'
'Lengauer C L'
'Korner W'
'Brandstatter F'
'Francis C A'
'Prem M'
'Tillmanns E'
_journal_name_full 'American Mineralogist'
_journal_volume 97 
_journal_year 2012
_journal_page_first 1402
_journal_page_last 1416
_publ_section_title
;
 Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
 Evidence from Fe2+ - and Mn2+ -rich tourmaline
 Note: sample mnelb3
;
_database_code_amcsd 0019253
_chemical_compound_source 'Elba, Italy'
_chemical_formula_sum 'Na.666 Al7.767 Mn1.233 Si6 B3 F.57 O30.43 H6'
_cell_length_a 15.951
_cell_length_b 15.951
_cell_length_c 7.1380
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1572.834
_exptl_crystal_density_diffrn      3.159
_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
NaX   0.00000   0.00000   0.77140   0.66600   0.02390
AlY   0.87608   0.93804   0.37180   0.58900   0.00935
MnY   0.87608   0.93804   0.37180   0.41100   0.00935
AlZ   0.70199   0.73879   0.38810   1.00000   0.00538
SiT   0.80813   0.81005   0.99836   1.00000   0.00493
B   0.89002   0.78004   0.54430   1.00000   0.00650
F1   0.00000   0.00000   0.21930   0.57000   0.04470
O1   0.00000   0.00000   0.21930   0.43000   0.04470
O2   0.93850   0.87701   0.51363   1.00000   0.01800
O3   0.73198   0.86599   0.48923   1.00000   0.01179
O4   0.90643   0.81286   0.92846   1.00000   0.00911
O5   0.81260   0.90630   0.90659   1.00000   0.00951
O6   0.80269   0.81281   0.22330   1.00000   0.00814
O7   0.71441   0.71398   0.91919   1.00000   0.00719
O8   0.79000   0.72921   0.55792   1.00000   0.00849
H3   0.73700   0.86870   0.60900   1.00000   0.02900
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
NaX 0.02560 0.02560 0.02070 0.01280 0.00000 0.00000
AlY 0.00883 0.00629 0.01377 0.00441 -0.00279 -0.00139
MnY 0.00883 0.00629 0.01377 0.00441 -0.00279 -0.00139
AlZ 0.00527 0.00590 0.00480 0.00267 0.00000 0.00059
SiT 0.00487 0.00465 0.00527 0.00237 -0.00031 -0.00050
B 0.00680 0.00490 0.00700 0.00250 0.00048 0.00100
F1 0.06130 0.06130 0.01160 0.03060 0.00000 0.00000
O1 0.06130 0.06130 0.01160 0.03060 0.00000 0.00000
O2 0.02810 0.00540 0.01300 0.00270 0.00048 0.00100
O3 0.02240 0.01070 0.00620 0.01120 -0.00030 -0.00016
O4 0.00670 0.01360 0.00930 0.00680 -0.00085 -0.00170
O5 0.01480 0.00710 0.00920 0.00740 0.00090 0.00047
O6 0.00860 0.00970 0.00510 0.00380 0.00030 -0.00010
O7 0.00640 0.00650 0.00680 0.00190 -0.00020 -0.00110
O8 0.00570 0.01110 0.00920 0.00460 0.00090 0.00330