data_global
_chemical_name_mineral 'Chromium-dravite'
loop_
_publ_author_name
'Bosi F'
'Lucchesi S'
'Reznitskii L'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 16 
_journal_year 2004
_journal_page_first 345
_journal_page_last 352
_publ_section_title
;
 Crystal chemistry of the dravite-chromdravite series
 Note: Tourmaline TMpr79f
;
_database_code_amcsd 0007060
_chemical_compound_source 'Sludyanka crystalline complex, Lake Baikal, Russia'
_chemical_formula_sum 'Na.829 Ca.097 K.014 Cr3.9 Mg2.208 V.147 Fe.042 Ti.03 Zn.012 Al2.682 Si5.982 B3 O30.607 F.393 H2.82'
_cell_length_a 16.0204
_cell_length_b 16.0204
_cell_length_c 7.2985
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1622.224
_exptl_crystal_density_diffrn      3.270
_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   0.22510   0.82900   0.01790
CaX   0.00000   0.00000   0.22510   0.09700   0.01790
KX   0.00000   0.00000   0.22510   0.01400   0.01790
CrY   0.12337   0.06168   0.63729   0.76600   0.00440
MgY   0.12337   0.06168   0.63729   0.15800   0.00440
V3+Y   0.12337   0.06168   0.63729   0.04900   0.00440
Fe2+Y   0.12337   0.06168   0.63729   0.01400   0.00440
Ti4+Y   0.12337   0.06168   0.63729   0.01000   0.00440
ZnY   0.12337   0.06168   0.63729   0.00400   0.00440
AlZ   0.29783   0.26189   0.60889   0.44400   0.00530
MgZ   0.29783   0.26189   0.60889   0.28900   0.00530
CrZ   0.29783   0.26189   0.60889   0.26700   0.00530
SiT   0.19032   0.18856   0.00000   0.99700   0.00430
AlT   0.19032   0.18856   0.00000   0.00300   0.00430
B   0.10995   0.21990   0.45420   1.00000   0.00490
O1W   0.00000   0.00000   0.76530   0.60700   0.00600
F1W   0.00000   0.00000   0.76530   0.39300   0.00600
O2   0.06030   0.12060   0.48820   1.00000   0.00640
O3V   0.25690   0.12845   0.50980   1.00000   0.00920
O4   0.09258   0.18516   0.07170   1.00000   0.00920
O5   0.18270   0.09135   0.09160   1.00000   0.00860
O6   0.19182   0.18237   0.77960   1.00000   0.00680
O7   0.28347   0.28306   0.07370   1.00000   0.00860
O8   0.20776   0.26828   0.43830   1.00000   0.00980
H3V   0.24800   0.12400   0.38200   0.94000   0.07000