data_global
_chemical_name_mineral 'Holtite'
loop_
_publ_author_name
'Groat L A'
'Grew E S'
'Evans R J'
'Pieczka A'
'Ercit T S'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 73 
_journal_year 2009
_journal_page_first 1033
_journal_page_last 1050
_publ_section_title
;
 The crystal chemistry of holtite
 Sample: H2
;
_database_code_amcsd 0019926
_chemical_compound_source 'Greenbushes tinfield, Bridgetown-Greenbushes Shire, Australia'
_chemical_formula_sum 'Al6.39 Ta.23 Si2.65 Sb.21 As.138 B O17.65'
_cell_length_a 4.6981
_cell_length_b 11.926
_cell_length_c 20.413
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1143.731
_exptl_crystal_density_diffrn      3.586
_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   0.40077   0.75000   0.25027   0.56000   0.01530
Ta1   0.40077   0.75000   0.25027   0.23000   0.01530
Al2   0.55782   0.61049   0.47333   0.99500   0.00530
Al3   0.05953   0.49028   0.43151   0.99000   0.00490
Al4   0.06020   0.35952   0.29005   0.93000   0.00730
Si1   0.08620   0.75000   0.40839   0.88400   0.00500
Sb1   0.11030   0.75000   0.38650   0.05600   0.01030
As1   0.11030   0.75000   0.38650   0.06000   0.01030
Si2   0.58710   0.52053   0.32979   0.88300   0.00540
Sb2   0.60860   0.55890   0.31747   0.07700   0.00930
As2   0.60860   0.55890   0.31747   0.03900   0.00930
B   0.22740   0.25000   0.41550   1.00000   0.00660
O1   0.37740   0.75000   0.45674   1.00000   0.00630
O2   0.16130   0.75000   0.33048   0.88400   0.01060
O3   0.89430   0.63880   0.42516   1.00000   0.00620
O4   0.40350   0.43452   0.28251   1.00000   0.00730
O5   0.39440   0.54984   0.39427   1.00000   0.00630
O6   0.88070   0.45119   0.35208   1.00000   0.00700
O7   0.65860   0.63330   0.28880   0.88300   0.01080
O8   0.17260   0.25000   0.34990   1.00000   0.00870
O9   0.25370   0.35049   0.44776   1.00000   0.00680
O10   0.75760   0.25000   0.27364   1.00000   0.01020
O11   0.75000   0.46710   0.48826   1.00000   0.00520