data_global
_chemical_name_mineral 'Elbaite'
loop_
_publ_author_name
'Nuber B'
'Schmetzer K'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1984 
_journal_year 1984
_journal_page_first 301
_journal_page_last 304
_publ_section_title
;
 Structural refinement of tsilaisite (manganese tourmaline)
;
_database_code_amcsd 0014789
_chemical_compound_source 'Zambia'
_chemical_formula_sum 'Na.85 Ca.04 Al7.53 Li.42 Mn.93 Si6 B3 (O31 H4)'
_cell_length_a 15.916
_cell_length_b 15.916
_cell_length_c 7.130
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1564.185
_exptl_crystal_density_diffrn      3.119
_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   0.85480   0.85000   0.02270
CaX   0.00000   0.00000   0.85480   0.04000   0.02270
AlY   0.06170  -0.06170   0.46060   0.51000   0.00810
LiY   0.06170  -0.06170   0.46060   0.14000   0.00810
MnY   0.06170  -0.06170   0.46060   0.31000   0.00810
AlZ   0.26100   0.29780   0.47460   1.00000   0.00590
SiT   0.19000   0.19190   0.08630   1.00000   0.00490
B  -0.10960   0.10960   0.63230   1.00000   0.00650
O-H1   0.00000   0.00000   0.30340   1.00000   0.05050
O2  -0.06110   0.06110   0.60380   1.00000   0.02060
O-H3   0.13430  -0.13430   0.57700   1.00000   0.01130
O4  -0.09330   0.09330   0.01570   1.00000   0.00890
O5   0.09330  -0.09330  -0.00660   1.00000   0.00910
O6   0.18720   0.19720   0.31080   1.00000   0.00810
O7   0.28590   0.28570   0.00580   1.00000   0.00680
O8   0.27060   0.20960   0.64500   1.00000   0.00820