data_global
_chemical_name_mineral 'Natisite'
loop_
_publ_author_name
'Egorov-Tismenko Y K'
'Simonov M A'
'Belov N V'
_journal_name_full 'Doklady Akademii Nauk SSSR'
_journal_volume 240 
_journal_year 1978
_journal_page_first 78
_journal_page_last 80
_publ_section_title
;
 The refinement of the crystal structure of the synthetic sodium titanosilicate
 Na2(TiO)[SiO4]
 Note: B11(Na) corrected
;
_database_code_amcsd 0012461
_chemical_formula_sum 'Na2 Ti Si O5'
_cell_length_a 6.485
_cell_length_b 6.485
_cell_length_c 5.0987
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 214.427
_exptl_crystal_density_diffrn      3.128
_symmetry_space_group_name_H-M 'P 4/n m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  'y,x,-z'
  'y,-x,-z'
  '1/2-y,1/2+x,z'
  'x,-y,z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2+y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,z'
  '-y,-x,-z'
  '-y,x,-z'
  '1/2+y,1/2-x,z'
  '-x,y,z'
  '1/2+x,1/2-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_U_iso_or_equiv
Na   0.25000   0.25000   0.50000   0.01305
Ti   0.50000   0.00000   0.93450   0.00253
Si   0.00000   0.00000   0.00000   0.00291
O1   0.20600   0.00000   0.81680   0.00659
O2   0.50000   0.00000   0.26900   0.00925
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na 0.01342 0.01342 0.01254 0.00190 0.00431 0.00431
Ti 0.00203 0.00203 0.00355 0.00000 0.00000 0.00000
Si 0.00177 0.00177 0.00456 0.00000 0.00000 0.00000
O1 0.00481 0.00646 0.00836 0.00000 0.00000 0.00038
O2 0.01241 0.01241 0.00431 0.00000 0.00000 0.00000