data_global
_amcsd_formula_title 'Na O7 P2 Ti'
loop_
_publ_author_name
'Leclaire A'
'Benmoussa A'
'Borel M'
'Grandin A'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 77 
_journal_year 1988
_journal_page_first 299
_journal_page_last 305
_publ_section_title
;
 Two forms of sodium titanium(III) diphosphate: alpha-Na Ti P2 O7
 closely related to beta-Cristobalite and beta-Na Ti P2 O7
 isotypic with Na Fe P2 O7
 _cod_database_code 1001384
;
_database_code_amcsd 0013628
_chemical_formula_sum 'Ti P2 Na O7'
_cell_length_a 8.697
_cell_length_b 5.239
_cell_length_c 13.293
_cell_angle_alpha 90
_cell_angle_beta 116.54
_cell_angle_gamma 90
_cell_volume 541.852
_exptl_crystal_density_diffrn      3.001
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ti1   0.26328   0.23710   0.02956
P1   0.16670   0.75500   0.14509
P2   0.68390   0.27710   0.11568
Na1   0.44730   0.27040   0.31030
O1   0.01800   0.25700  -0.05810
O2   0.52180   0.22670   0.13040
O3   0.25310   0.01140   0.15330
O4   0.29470  -0.09540  -0.03640
O5   0.30670   0.44360  -0.08780
O6   0.27290   0.53950   0.13350
O7   0.16100   0.71800   0.26340