data_global
_chemical_name_mineral 'Pauflerite'
loop_
_publ_author_name
'Krivovichev S V'
'Vergasova L P'
'Britvin S N'
'Filatov S K'
'Kahlenberg V'
'Ananiev V V'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 45 
_journal_year 2007
_journal_page_first 921
_journal_page_last 927
_publ_section_title
;
 Pauflerite, B-VO(SO4), a new mineral species from the Tolbachik volcano,
 Kamchatka Peninsula, Russia
;
_database_code_amcsd 0006150
_chemical_compound_source 'Great Fissure Tolbachik eruption, Kamchatka Peninsula, Russia'
_chemical_formula_sum 'V S O5'
_cell_length_a 7.3890
_cell_length_b 6.2740
_cell_length_c 7.0788
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 328.163
_exptl_crystal_density_diffrn      3.299
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
V   0.33473   0.25000   0.26710   0.00820
S   0.37696   0.75000   0.36810   0.00640
O1   0.37520   0.56270   0.24340   0.01200
O2   0.12640   0.25000   0.33240   0.01270
O3   0.54480   0.75000   0.48070   0.01240
O4   0.21570   0.75000   0.49010   0.01250
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
V 0.00960 0.00600 0.00910 0.00000 -0.00200 0.00000
S 0.00630 0.00550 0.00740 0.00000 -0.00060 0.00000
O1 0.01910 0.00550 0.01150 -0.00050 0.00050 -0.00190
O2 0.00940 0.01390 0.01460 0.00000 -0.00090 0.00000
O3 0.00840 0.01980 0.00880 0.00000 -0.00290 0.00000
O4 0.01010 0.01960 0.00780 0.00000 0.00180 0.00000