data_global
_chemical_name_mineral 'Wairakite'
loop_
_publ_author_name
'Seryotkin Y V'
'Joswig W'
'Bakakin V V'
'Belitsky I A'
'Fursenko B A'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 15 
_journal_year 2003
_journal_page_first 475
_journal_page_last 484
_publ_section_title
;
 High-temperature crystal structure of wairakite
 Sample: Wai-170, T = 170 C
;
_database_code_amcsd 0006991
_chemical_formula_sum 'Na.06 Ca.928 Si4 Al2 O14 H4'
_cell_length_a 13.712
_cell_length_b 13.712
_cell_length_c 13.681
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2572.287
_exptl_crystal_density_diffrn      2.236
_symmetry_space_group_name_H-M 'I 41/a c d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/4-y,3/4-x,3/4+z'
  '3/4-y,1/4-x,1/4+z'
  '1/4+y,3/4+x,3/4-z'
  '3/4+y,1/4+x,1/4-z'
  '1/4+y,3/4-x,1/4-z'
  '3/4+y,1/4-x,3/4-z'
  '1/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/2+x,-y,z'
  '+x,1/2-y,1/2+z'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2+x,y,1/2-z'
  '+x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,1/2-y,+z'
  '1/4+y,1/4+x,1/4+z'
  '3/4+y,3/4+x,3/4+z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,3/4-z'
  '1/4-y,1/4+x,3/4-z'
  '3/4-y,3/4+x,1/4-z'
  '1/4+y,1/4-x,3/4+z'
  '3/4+y,3/4-x,1/4+z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-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
NaM1   0.12180   0.00000   0.25000   0.03000   0.05100
CaM2   0.00000   0.25000   0.12500   0.92800   0.03550
SiT1   0.12073   0.16198   0.41366   1.00000   0.01250
AlT2   0.16264   0.41264   0.12500   1.00000   0.01230
O1   0.10301   0.35191   0.22066   1.00000   0.02310
O2   0.21462   0.10635   0.37673   1.00000   0.03030
O3   0.37198   0.22138   0.10178   1.00000   0.03450
Wat   0.12310   0.12690   0.12500   1.00000   0.09430