data_global
_chemical_name_mineral 'Paranatisite'
loop_
_publ_author_name
'Sokolova E V'
'Yamnova N A'
'Egorov-Tismenko Y K'
'Khomyakov A P'
_journal_name_full 'Soviet Physics Doklady'
_journal_volume 30 
_journal_year 1985
_journal_page_first 822
_journal_page_last 825
_publ_section_title
;
 Crystal structure of a new mineral Na8Ti3.5O2(OH)2[SiO4]4 -
 a polymorphous modification of natisite
;
_database_code_amcsd 0020476
_chemical_compound_source 'Khibiny mountain range, Kolsky Peninsula, Russia'
_chemical_formula_sum 'Na4 Ti1.75 Si2 O10 H'
_cell_length_a 9.827
_cell_length_b 9.167
_cell_length_c 4.799
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 432.314
_exptl_crystal_density_diffrn      3.018
_symmetry_space_group_name_H-M 'P m m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,z'
  '-x,y,-z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,y,-z'
  '1/2-x,-y,z'
  '-x,-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
Na1   0.25000   0.00000   0.40400   1.00000   0.02406
Na2   0.00000   0.50000   0.00000   1.00000   0.01520
Na3   0.25000   0.25200   0.99600   1.00000   0.02786
Ti1   0.00000   0.00000   0.00000   0.75000   0.02280
Ti2   0.25000   0.50000   0.53500   1.00000   0.00253
Si   0.00000   0.25100   0.50000   1.00000   0.01013
O1   0.61400   0.35500   0.35500   1.00000   0.01393
O2   0.43500   0.14800   0.25500   1.00000   0.01140
O-H3   0.30700   0.00000   0.87300   0.50000   0.02913
O4   0.25000   0.50000   0.17800   1.00000   0.01013
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
Na1 0.03542 0.02784 0.01013 0.00000 0.00000 0.00000
Na2 0.02784 0.01392 0.00760 0.00000 0.00506 0.00000
Na3 0.03796 0.02150 0.01519 0.00000 0.00000 0.00125
Ti1 0.09623 0.00000 0.00253 0.00000 -0.03925 0.00000
Ti2 0.00504 0.01137 0.01013 0.00000 0.00000 0.00000
Si 0.01140 0.00885 0.02025 0.00000 0.00000 0.00000
O2 0.01262 0.00507 0.01772 -0.00630 -0.00760 0.00000
O-H3 0.08229 0.00123 0.02533 0.00000 -0.02532 0.00000
O4 0.03038 0.01392 0.00126 0.00000 0.00000 0.00000