data_global
_chemical_name_mineral 'Oxy-vanadium-dravite'
loop_
_publ_author_name
'Bosi F'
'Reznitskii L'
'Sklyarov E V'
_journal_name_full 'American Mineralogist'
_journal_volume 98 
_journal_year 2013
_journal_page_first 501
_journal_page_last 505
_publ_section_title
;
 Oxy-vanadium-dravite, NaV3(V4Mg2)(Si6O18)(BO3)3(OH)3O:
 Crystal structure and redefinition of the "vanadium-dravite" tourmaline
;
_database_code_amcsd 0019820
_chemical_compound_source 'Sludyanka complex, southern Baikal region, Russia'
_chemical_formula_sum 'Na V6.189 Mg2.586 B3 Si6 O31 H3'
_cell_length_a 16.1908
_cell_length_b 16.1908
_cell_length_c 7.4143
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1683.206
_exptl_crystal_density_diffrn      3.259
_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   0.22575   1.02900   0.02520
VY   0.12291   0.06146   0.63907   0.92500   0.00800
VZ   0.29822   0.26173   0.61043   0.56900   0.00670
MgZ   0.29822   0.26173   0.61043   0.43100   0.00670
B   0.10951   0.21901   0.45484   1.00000   0.00887
SiT   0.18938   0.18778   0.00000   1.00000   0.00701
O1   0.00000   0.00000   0.76587   1.00000   0.00910
O2   0.06071   0.12141   0.48914   1.00000   0.00886
O3   0.25659   0.12830   0.50995   1.00000   0.01127
O4   0.09213   0.18426   0.06973   1.00000   0.01145
O5   0.18214   0.09107   0.08701   1.00000   0.01089
O6   0.19183   0.18285   0.78271   1.00000   0.00902
O7   0.28151   0.28147   0.07441   1.00000   0.00992
O8   0.20666   0.26751   0.43882   1.00000   0.01122
H3   0.26430   0.13210   0.38600   1.00000   0.01700
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
NaX 0.02550 0.02550 0.02440 0.01280 0.00000 0.00000
VY 0.00730 0.00670 0.01020 0.00360 -0.00100 -0.00050
VZ 0.00590 0.00650 0.00750 0.00300 0.00002 0.00050
MgZ 0.00590 0.00650 0.00750 0.00300 0.00002 0.00050
B 0.00740 0.00860 0.01110 0.00430 0.00070 0.00150
SiT 0.00640 0.00590 0.00880 0.00300 -0.00030 -0.00040
O1 0.00890 0.00890 0.00950 0.00440 0.00000 0.00000
O2 0.00810 0.00660 0.01130 0.00330 0.00090 0.00170
O3 0.01280 0.01180 0.00950 0.00640 0.00090 0.00040
O4 0.00890 0.01640 0.01150 0.00820 -0.00050 -0.00110
O5 0.01590 0.00850 0.01080 0.00800 0.00140 0.00070
O6 0.01000 0.00830 0.00850 0.00440 -0.00040 -0.00070
O7 0.00820 0.00740 0.01110 0.00160 -0.00120 -0.00140
O8 0.00560 0.00980 0.01760 0.00330 0.00100 0.00380