data_global
_chemical_name_mineral 'Taranakite'
loop_
_publ_author_name
'Dick S'
'Gossner U'
'Weiss A'
'Robl C'
'Grossman G'
'Ohms G'
'Zeiske T'
_journal_name_full 'Inorganica Chimica Acta'
_journal_volume 269 
_journal_year 1998
_journal_page_first 47
_journal_page_last 57
_publ_section_title
;
 Taranakite - the mineral with the longest crystallographic axis
;
_database_code_amcsd 0012725
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'K3 Al5 P8 O50 H42'
_cell_length_a 8.7025
_cell_length_b 8.7025
_cell_length_c 95.05
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 6234.058
_exptl_crystal_density_diffrn      2.145
_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'
  '-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'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-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
K   0.57680   0.00000   0.25000   0.02800
Al1   0.00000   0.00000   0.25000   0.01000
Al2   0.66667   0.33333   0.28450   0.01500
Al3   0.00000   0.00000   0.29730   0.01100
P1   0.28130   0.04560   0.27310   0.01100
P2   0.00000   0.00000   0.63500   0.01200
O1   0.20580   0.09910   0.26120   0.01300
O2   0.20250   0.04840   0.28730   0.01600
O-h3   0.24820   0.85450   0.26970   0.01900
O4   0.48140   0.16890   0.27360   0.01600
O5   0.00000   0.00000   0.61860   0.01600
O6   0.15570   0.51200   0.30670   0.01700
Ow7   0.50450   0.35770   0.29710   0.02100
Ow8   0.80100  -0.06300   0.30940   0.01800
Ow9   0.53580   0.56660   0.33330   0.02900
H1   0.51620   0.72070   0.27620   0.07600
H2   0.50950   0.44920   0.29960   0.05200
H3   0.40240   0.29440   0.29640   0.05200
H4   0.81220  -0.01050   0.31650   0.04000
H5   0.70240   0.84010   0.30880   0.04000
H6   0.52010   0.59980   0.32540   0.02900
H7   0.79970   0.65530   0.33310   0.02900