data_global
_chemical_name_mineral 'Fluor-buergerite'
loop_
_publ_author_name
'Barton R'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 25 
_journal_year 1969
_journal_page_first 1524
_journal_page_last 1533
_publ_section_title
;
 Refinement of the crystal structure of buergerite and the absolute
 orientation of tourmalines
;
_database_code_amcsd 0018672
_chemical_compound_source 'Mexquitic, San Luis Potosi, Mexico'
_chemical_formula_sum 'Na Fe3 Al6 Si6 B3 O30 F'
_cell_length_a 15.869
_cell_length_b 15.869
_cell_length_c 7.188
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1567.609
_exptl_crystal_density_diffrn      3.344
_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_U_iso_or_equiv
NaX   0.00000   0.00000   0.21338   0.02948
FeY   0.13320   0.06660   0.62072   0.01074
AlZ   0.29880   0.25887   0.60437   0.00743
SiT   0.19156   0.19065   0.00000   0.00388
B1   0.10992   0.21984   0.45182   0.00591
O1   0.06056   0.12112   0.48607   0.00999
O2   0.26450   0.13225   0.52094   0.00957
O3   0.09478   0.18956   0.07532   0.00938
O4   0.18258   0.09129   0.08388   0.00994
O5   0.19314   0.18680   0.77481   0.00788
O6   0.28670   0.28580   0.07445   0.00726
O7   0.20894   0.26941   0.43778   0.00795
FW   0.00000   0.00000   0.76698   0.02698
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 0.02890 0.02890 0.03068 0.01445 0.00000 0.00000
FeY 0.00689 0.00689 0.01424 0.00029 0.00435 -0.00435
AlZ 0.00612 0.00823 0.00749 0.00325 -0.00035 0.00175
SiT 0.00383 0.00364 0.00398 0.00172 0.00015 -0.00040
B1 0.00593 0.00593 0.00688 0.00364 0.00025 -0.00025
O1 0.00986 0.00986 0.01351 0.00737 0.00045 -0.00045
O2 0.00785 0.00785 0.00961 0.00134 0.00040 -0.00040
O3 0.00890 0.00890 0.00864 0.00316 -0.00025 0.00025
O4 0.00909 0.00909 0.00864 0.00230 -0.00060 0.00060
O5 0.00842 0.00698 0.00717 0.00306 0.00025 -0.00010
O6 0.00775 0.00660 0.00620 0.00268 -0.00085 -0.00115
O7 0.00593 0.00832 0.00997 0.00383 -0.00005 0.00115
FW 0.03617 0.03617 0.00859 0.01808 0.00000 0.00000