data_global
_chemical_name_mineral 'Zorite'
loop_
_publ_author_name
'Sandomirskii P A'
'Belov N V'
_journal_name_full 'Soviet Physics Crystallography'
_journal_volume 24 
_journal_year 1979
_journal_page_first 686
_journal_page_last 693
_publ_section_title
;
 The OD structure of zorite
;
_database_code_amcsd 0015580
_chemical_compound_source 'central natrolite region, Yubileinaya pegmatoid vein, Lovozero massif'
_chemical_formula_sum 'Ti2.3 Nb.2 Si6 Na3 O24.75 H10.5'
_cell_length_a 23.241
_cell_length_b 7.238
_cell_length_c 6.955
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1169.959
_exptl_crystal_density_diffrn      2.194
_symmetry_space_group_name_H-M 'C m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,y,-z'
  '1/2+x,1/2+y,-z'
  '-x,-y,z'
  '1/2-x,1/2-y,z'
  '-x,-y,-z'
  '1/2-x,1/2-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
Ti1   0.25000   0.25000   0.00000   0.90000   0.00899
Nb1   0.25000   0.25000   0.00000   0.10000   0.00899
Ti2   0.00000   0.50000   0.04570   0.25000   0.01938
Si1   0.16180   0.00000   0.26970   1.00000   0.00861
Si2   0.06390   0.09430   0.00000   0.50000   0.01039
Na1   0.25000   0.25000   0.50000   0.50000   0.02786
Na2   0.36540   0.00000   0.21820   0.50000   0.04939
O1   0.15450   0.00000   0.50000   1.00000   0.02153
O2   0.09520   0.00000   0.18780   1.00000   0.02026
O3   0.19400   0.18530   0.20360   1.00000   0.02153
O4   0.22080   0.50000   0.00000   1.00000   0.01393
O5   0.00000   0.00000   0.00000   1.00000   0.01267
O6   0.06020   0.31970   0.00000   0.50000   0.02913
O7   0.01120   0.50000   0.28260   0.12500   0.02786
Wat1   0.29490   0.05370   0.50000   0.50000   0.05066
Wat2   0.08110   0.38240   0.50000   0.25000   0.07726
Wat3   0.07200   0.50000   0.50000   0.12500 ?
Wat4   0.10000   0.30000   0.50000   0.25000 ?
Wat5   0.03000   0.09000   0.50000   0.25000 ?