data_global
_chemical_name_mineral 'Hilairite'
loop_
_publ_author_name
'Ilyushin G D'
'Voronkov A A'
'Nevskii N N'
'Ilyukhin V V'
'Belov N V'
_journal_name_full 'Doklady Akademii Nauk SSSR'
_journal_volume 260 
_journal_year 1981
_journal_page_first 1118
_journal_page_last 1120
_publ_section_title
;
 Crystal structure of hilairite, Na2ZrSi3O9*3H2O
;
_database_code_amcsd 0012472
_chemical_formula_sum 'Na3.634 Zr2 Si6 O24 H12'
_cell_length_a 10.556
_cell_length_b 10.556
_cell_length_c 15.855
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1530.015
_exptl_crystal_density_diffrn      2.704
_symmetry_space_group_name_H-M 'R 3 2'
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,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,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_occupancy
_atom_site_U_iso_or_equiv
Na1   0.00000   0.00000   0.19700   0.80000   0.10005
Na2   0.38880   0.00000   0.50000   0.67800   0.03293
Zr1   0.00000   0.00000   0.00000   1.00000   0.01507
Zr2   0.00000   0.00000   0.50000   1.00000   0.01267
Si   0.41740   0.41280   0.24860   1.00000   0.00912
O1   0.09210   0.18460   0.07680   1.00000   0.01507
O2   0.09890   0.19020   0.57200   1.00000   0.01494
O3   0.65390   0.00000   0.00000   1.00000   0.01507
O4   0.64340   0.00000   0.50000   1.00000   0.01545
Wat   0.50000   0.14600   0.06300   1.00000   0.04597