data_global
_chemical_name_mineral 'Krivovichevite'
loop_
_publ_author_name
'Krivovichev S V'
'Armbruster T'
'Yakovenchuk V N'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 47 
_journal_year 2009
_journal_page_first 153
_journal_page_last 158
_publ_section_title
;
 The crystal structure of krivovichevite, Pb3[Al(OH)6](SO4)(OH)
;
_database_code_amcsd 0006276
_chemical_compound_source 'Mt. Lepkhe-Nelm, Lovozero alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum 'Pb3 Al S (O11 H7)'
_cell_length_a 7.742
_cell_length_b 7.742
_cell_length_c 32.082
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1665.323
_exptl_crystal_density_diffrn      5.167
_symmetry_space_group_name_H-M 'R 3 c'
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,1/2+z'
  '2/3+x,1/3+x-y,5/6+z'
  '1/3+x,2/3+x-y,1/6+z'
  '-y,-x,1/2+z'
  '2/3-y,1/3-x,5/6+z'
  '1/3-y,2/3-x,1/6+z'
  '-x+y,y,1/2+z'
  '2/3-x+y,1/3+y,5/6+z'
  '1/3-x+y,2/3+y,1/6+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_U_iso_or_equiv
Pb   0.31619   0.27974   0.85506   0.01540
Al   0.00000   0.00000   0.94030   0.01200
S   0.66667   0.33333   0.93590   0.01400
O-H1  -0.02210   0.18520   0.90330   0.01700
O-H2   0.03560  -0.17760   0.97610   0.01700
O-H3   0.00000   0.00000   0.82590   0.01900
O4   0.66667   0.33333   0.88940   0.02100
O5   0.55470   0.12310   0.95060   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
Pb 0.01680 0.01410 0.01610 0.00830 0.00180 0.00120
Al 0.01200 0.01200 0.01200 0.00600 0.00000 0.00000
S 0.01400 0.01400 0.01500 0.00710 0.00000 0.00000
O-H1 0.02400 0.01300 0.02400 0.01700 0.00300 0.00500
O-H2 0.01700 0.01700 0.01400 0.00600 0.00000 0.00100
O-H3 0.01700 0.01700 0.02200 0.00800 0.00000 0.00000
O4 0.02000 0.02000 0.02400 0.01000 0.00000 0.00000
O5 0.00900 0.01200 0.02600 0.00100 -0.00200 0.00600