data_global
_chemical_name_mineral 'Holtite'
loop_
_publ_author_name
'Kazantsev S S'
'Zubkova N V'
'Voloshin A V'
_journal_name_full 'Crystallography Reports'
_journal_volume 51 
_journal_year 2006
_journal_page_first 412
_journal_page_last 413
_publ_section_title
;
 Refinement of composition and structure of holtite I
;
_database_code_amcsd 0019738
_chemical_compound_source 'Voroni Tundry deposit, Kola Peninsula, Russia'
_chemical_formula_sum 'Al6.24 Ta.248 Si2.499 Sb.343 As.13 B O17.499 H.52'
_cell_length_a 4.695
_cell_length_b 11.906
_cell_length_c 20.38
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1139.215
_exptl_crystal_density_diffrn      3.651
_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_occupancy
_atom_site_U_iso_or_equiv
Al1   0.40140   0.75000   0.24989   0.60600   0.01420
Ta1   0.40140   0.75000   0.24989   0.24800   0.01420
Al2   0.55760   0.61046   0.47309   0.95500   0.00900
Al3   0.05930   0.49050   0.43184   0.96300   0.01030
Al4   0.05990   0.35970   0.29009   0.89900   0.01130
Si1   0.08890   0.75000   0.40642   0.83100   0.00970
Sb1*   0.11400   0.75000   0.38530   0.09300   0.01300
As1*   0.11400   0.75000   0.38530   0.06800   0.01300
Si2   0.58880   0.52312   0.32877   0.83400   0.01130
Sb2*   0.60920   0.56360   0.31676   0.12500   0.01190
As2*   0.60920   0.56360   0.31676   0.03100   0.01190
B   0.23100   0.25000   0.46650   1.00000   0.01300
O1   0.37840   0.75000   0.45640   1.00000   0.01250
O2   0.15690   0.75000   0.33040   0.83100   0.02000
O3   0.89280   0.63890   0.45510   1.00000   0.01400
O4   0.40290   0.43410   0.28220   1.00000   0.01380
O5   0.39570   0.55090   0.39440   1.00000   0.01250
O6   0.88310   0.45090   0.35120   1.00000   0.01390
O7   0.65930   0.63310   0.28860   0.83400   0.01850
O8   0.17150   0.25000   0.34930   1.00000   0.01740
O9   0.25360   0.35060   0.44760   1.00000   0.01050
O-H10   0.75670   0.25000   0.27390   0.52000   0.01630
O10   0.75670   0.25000   0.27390   0.48000   0.01630
O11   0.75110   0.46690   0.48870   1.00000   0.01140