data_global
_chemical_name_mineral 'Holtite'
loop_
_publ_author_name
'Kazantsev S S'
'Pushcharovsky D Y'
'Pasero M'
'Merlino S'
'Zubkova N V'
'Kabalov Y K '
'Voloshin A V'
_journal_name_full 'Crystallography Reports'
_journal_volume 50 
_journal_year 2005
_journal_page_first 42
_journal_page_last 47
_publ_section_title
;
 Crystal structure of holtite I
;
_database_code_amcsd 0019739
_chemical_compound_source 'Voroni Tundry deposit, Kola Peninsula, Russia'
_chemical_formula_sum 'Al6.454 Ta.258 Si2.43 As.21 Sb.36 B O17.64 H'
_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      3.747
_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   0.61600   0.01200
Ta1   0.40140   0.75000   0.24989   0.25800   0.01200
Al2   0.55760   0.61046   0.47309   1.00000   0.00800
Al3   0.05930   0.49050   0.43184   0.98200   0.00900
Al4   0.05990   0.35970   0.29009   0.93700   0.01100
Si1   0.08890   0.75000   0.40642   0.81000   0.01500
As1   0.08890   0.75000   0.40642   0.09000   0.01500
Sb1*   0.11400   0.75000   0.38530   0.10000   0.00500
Si2   0.58880   0.52312   0.32877   0.81000   0.01360
As2   0.58880   0.52312   0.32877   0.06000   0.01360
Sb2*   0.60920   0.56360   0.31676   0.13000   0.01000
B   0.23100   0.25000   0.46650   1.00000   0.01200
O1   0.37840   0.75000   0.45640   1.00000   0.00900
O2   0.15690   0.75000   0.33040   0.90000   0.02600
O3   0.89280   0.63890   0.45510   1.00000   0.00900
O4   0.40290   0.43410   0.28220   1.00000   0.00900
O5   0.39570   0.55090   0.39440   1.00000   0.00800
O6   0.88310   0.45090   0.35120   1.00000   0.01000
O7   0.65930   0.63310   0.28860   0.87000   0.01800
O8   0.17150   0.25000   0.34930   1.00000   0.01100
O9   0.25360   0.35060   0.44760   1.00000   0.00700
O-H10   0.75670   0.25000   0.27390   1.00000   0.01300
O11   0.75110   0.46690   0.48870   1.00000   0.07000