data_global
_chemical_name_mineral 'Fluor-elbaite'
loop_
_publ_author_name
'Burns P C'
'MacDonald D J'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 32 
_journal_year 1994
_journal_page_first 31
_journal_page_last 41
_publ_section_title
;
 The crystal chemistry of manganese-bearing elbaite
 Sample: T15, split atom model
;
_database_code_amcsd 0005358
_chemical_compound_source 'Zambia'
_chemical_formula_sum 'Ca.08 Na.7 Al7.32 Fe.3 Mn.15 Li1.23 Si6 B3 F.66 O30.3 H3.3'
_cell_length_a 15.802
_cell_length_b 15.802
_cell_length_c 7.121
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1539.911
_exptl_crystal_density_diffrn      3.079
_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   0.08000   0.02150
NaX   0.00000   0.00000   0.84080   0.70000   0.02150
AlY   0.06178   0.93822   0.44720   0.44000   0.01140
FeY   0.06178   0.93822   0.44720   0.10000   0.01140
MnY   0.06178   0.93822   0.44720   0.05000   0.01140
LiY   0.06178   0.93822   0.44720   0.41000   0.01140
AlZ   0.26043   0.29727   0.46620   1.00000   0.00570
Si   0.18991   0.19188   0.07710   1.00000   0.00500
B   0.89068   0.10932   0.62210   1.00000   0.00670
F1   0.00970   0.00000   0.29540   0.11000   0.03680
O-H1   0.00970   0.00000   0.29540   0.05000   0.03680
O2   0.94770   0.06930   0.59140   0.50000   0.01710
O-H3   0.13356   0.86644   0.56850   1.00000   0.01160
O4   0.90653   0.09347   0.00470   1.00000   0.00840
O5   0.09344   0.90656  -0.01800   1.00000   0.00890
O6   0.18615   0.19628   0.30150   1.00000   0.00800
O7   0.28598   0.28594  -0.00290   1.00000   0.00680
O8   0.27039   0.20979   0.63650   1.00000   0.00780