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: NP1, split atom model
;
_database_code_amcsd 0005346
_chemical_compound_source 'Nepal'
_chemical_formula_sum 'Ca.2 Na.67 K.01 Ti.03 Al7.26 Fe.03 Mn.81 Li1.05 Si5.82 B3 F.66 O30.3 H3.3'
_cell_length_a 15.932
_cell_length_b 15.932
_cell_length_c 7.135
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1568.430
_exptl_crystal_density_diffrn      3.084
_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   0.20000   0.01910
NaX   0.00000   0.00000   0.84080   0.67000   0.01910
KX   0.00000   0.00000   0.84080   0.01000   0.01910
TiY   0.06188   0.93812   0.44310   0.01000   0.01230
AlY   0.06188   0.93812   0.44310   0.36000   0.01230
FeY   0.06188   0.93812   0.44310   0.01000   0.01230
MnY   0.06188   0.93812   0.44310   0.27000   0.01230
LiY   0.06188   0.93812   0.44310   0.35000   0.01230
AlZ   0.26101   0.29778   0.45910   1.00000   0.00670
Si   0.19011   0.19206   0.07070   0.97000   0.00560
Al   0.19011   0.19206   0.07070   0.03000   0.00560
B   0.89040   0.10960   0.61750   1.00000   0.00700
F1   0.01190   0.00000   0.28790   0.11000   0.04520
O-H1   0.01190   0.00000   0.28790   0.05000   0.04520
O2   0.92870   0.05070   0.59090   0.50000   0.02160
O-H3   0.13447   0.86553   0.56160   1.00000   0.01100
O4   0.90704   0.09296  -0.00090   1.00000   0.00920
O5   0.09309   0.90691  -0.02350   1.00000   0.01040
O6   0.18730   0.19731   0.29540   1.00000   0.00880
O7   0.28611   0.28591  -0.01010   1.00000   0.00730
O8   0.27060   0.20960   0.62930   1.00000   0.00880