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 1001385
;
_database_code_amcsd 0013629
_chemical_formula_sum 'Ti P2 Na O7'
_cell_length_a 7.394
_cell_length_b 7.936
_cell_length_c 9.726
_cell_angle_alpha 90
_cell_angle_beta 111.85
_cell_angle_gamma 90
_cell_volume 529.711
_exptl_crystal_density_diffrn      3.070
_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   0.26076   0.00861   0.24891
P1   0.07190   0.25470   0.45560
P2  -0.32690   0.21270   0.45470
Na1   0.28410   0.47880   0.29180
O1   0.53550   0.08630   0.35290
O2   0.30630  -0.20140   0.38490
O3   0.17550   0.13570   0.39170
O4  -0.01300  -0.08380   0.13430
O5   0.18540   0.21590   0.11920
O6   0.36850  -0.10840   0.10240
O7  -0.12490   0.15660   0.44050