data_global
_chemical_name_mineral 'Elbaite'
loop_
_publ_author_name
'Ertl A'
'Hughes J M'
'Prowatke S'
'Ludwig T'
'Prasad P S R'
'Brandstatter F'
'Korner W'
'Schuster R'
'Pertlik F'
'Marschall H'
_journal_name_full 'American Mineralogist'
_journal_volume 91 
_journal_year 2006
_journal_page_first 1847
_journal_page_last 1856
_publ_section_title
;
 Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite
 series from Madagascar: Structure, chemistry, and infrared spectroscopic studies
 Sample: LC1
;
_database_code_amcsd 0004249
_chemical_compound_source 'Anjanabonoina, Madagascar'
_chemical_formula_sum 'Na.46 Ca.3 Al7.83 Li.9 Si5.58 B3.42 F.5 O30.5 H3.501'
_cell_length_a 15.8095
_cell_length_b 15.8095
_cell_length_c 7.0941
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1535.551
_exptl_crystal_density_diffrn      3.033
_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   0.25000   0.46000   0.01380
CaX   0.00000   0.00000   0.25000   0.30000   0.01380
AlY   0.12250   0.06125  -0.34320   0.61000   0.00990
LiY   0.12250   0.06125  -0.34320   0.30000   0.00990
AlZ   0.29678   0.26009  -0.37143   1.00000   0.00846
SiT   0.19165   0.18970   0.01911   0.93000   0.00651
BT   0.19165   0.18970   0.01911   0.07000   0.00651
B   0.10909   0.21818   0.47320   1.00000   0.00830
F1W   0.00000   0.00000  -0.20090   0.50000   0.02750
O1W   0.00000   0.00000  -0.20090   0.50000   0.02750
O2   0.06001   0.12002   0.50640   1.00000   0.01730
O3V   0.26455   0.13228  -0.47290   1.00000   0.01460
O4   0.09329   0.18658   0.09320   1.00000   0.01180
O5   0.18584   0.09292   0.11460   1.00000   0.01220
O6   0.19487   0.18469  -0.20580   1.00000   0.00993
O7   0.28619   0.28565   0.09730   1.00000   0.00912
O8   0.20959   0.27011   0.45800   1.00000   0.00986
H1W   0.05290   0.02645  -0.14000   0.16700 ?
H3V   0.26200   0.13100   0.42300   1.00000   0.04700