data_global
_chemical_name_mineral 'Uvite'
loop_
_publ_author_name
'Schmetzer K'
'Nuber B'
'Abraham K'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_volume 136 
_journal_year 1979
_journal_page_first 93
_journal_page_last 112
_publ_section_title
;
 Zur Kristallchemie Magnesium-reicher Turmaline
;
_database_code_amcsd 0019010
_chemical_compound_source 'Landanai, Tanzania'
_chemical_formula_sum '(Ca.64 Na.34 K.02) Mg3.24 Al5.7 V.06 Si6 B3 O30.54 F.46 H3.32'
_cell_length_a 15.967
_cell_length_b 15.967
_cell_length_c 7.213
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1592.550
_exptl_crystal_density_diffrn      3.039
_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
Ca   0.00000   0.00000   0.85760   0.64000
Na   0.00000   0.00000   0.85760   0.34000
K   0.00000   0.00000   0.85760   0.02000
Mg   0.06300  -0.06300   0.45310   1.00000
Al   0.26160   0.29790   0.47100   0.95000
V   0.26160   0.29790   0.47100   0.01000
Mg   0.26160   0.29790   0.47100   0.04000
Si   0.19010   0.19190   0.08400   1.00000
B  -0.10970   0.10970   0.63120   1.00000
O1   0.00000   0.00000   0.31010   0.22000
O-H1   0.00000   0.00000   0.31010   0.32000
F1   0.00000   0.00000   0.31010   0.46000
O2  -0.06050   0.06050   0.60610   1.00000
O-H3   0.13380  -0.13380   0.57070   1.00000
O4  -0.09240   0.09240   0.01210   1.00000
O5   0.09050  -0.09050  -0.00800   1.00000
O6   0.18640   0.19580   0.30550   1.00000
O7   0.28420   0.28520   0.00320   1.00000
O8   0.26700   0.10960   0.64140   1.00000
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
Ca 0.01100 0.01100 0.01010 0.00550 0.00000 0.00000
Na 0.01100 0.01100 0.01010 0.00550 0.00000 0.00000
K 0.01100 0.01100 0.01010 0.00550 0.00000 0.00000
Mg 0.00410 0.00410 0.01180 0.00120 0.00190 -0.00190
Al 0.00520 0.00440 0.00690 0.00240 -0.00050 0.00020
V 0.00520 0.00440 0.00690 0.00240 -0.00050 0.00020
Mg 0.00520 0.00440 0.00690 0.00240 -0.00050 0.00020
Si 0.00360 0.00400 0.00630 0.00180 0.00030 0.00020
B 0.00400 0.00400 0.01090 0.00140 0.00020 -0.00020
O1 0.00660 0.00660 0.01100 0.00330 0.00000 0.00000
O-H1 0.00660 0.00660 0.01100 0.00330 0.00000 0.00000
F1 0.00660 0.00660 0.01100 0.00330 0.00000 0.00000
O2 0.00810 0.00810 0.01310 0.00510 0.00110 -0.00110
O-H3 0.01100 0.01100 0.00740 0.00410 -0.00040 0.00040
O4 0.00760 0.00760 0.00820 0.00000 -0.00050 0.00050
O5 0.00630 0.00630 0.01190 -0.00090 -0.00060 0.00060
O6 0.00920 0.00980 0.00800 0.00530 0.00100 0.00110
O7 0.00620 0.00700 0.01020 0.00180 0.00110 0.00150
O8 0.00710 0.00430 0.01660 0.00240 -0.00220 -0.00070