data_global
_amcsd_formula_title 'O4 P Ti'
loop_
_publ_author_name
'Leclaire A'
'Benmoussa A'
'Borel M'
'Grandin A'
'Raveau B'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 28 
_journal_year 1991
_journal_page_first 1323
_journal_page_last 1333
_publ_section_title
;
 TiPO4, a titanium orthophosphate with a CrVO4 sublattice
 _cod_database_code 1001530
;
_database_code_amcsd 0012546
_chemical_formula_sum 'Ti P O4'
_cell_length_a 4.7598
_cell_length_b 6.3493
_cell_length_c 17.7599
_cell_angle_alpha 90
_cell_angle_beta 97.39
_cell_angle_gamma 90
_cell_volume 532.271
_exptl_crystal_density_diffrn      3.565
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ti1   0.74410   0.49900   0.12483
Ti2   0.24800   0.49440   0.37358
P1   0.27570   0.75000   0.21272
P2   0.72400   0.25000   0.28660
P3   0.77420   0.75000   0.46190
P4   0.22550   0.25000   0.03800
O1   0.66300   0.25000   0.20060
O2   0.56310   0.75000   0.18490
O3   0.94100   0.25000   0.07260
O4   0.81700   0.75000   0.05090
O5   0.38610   0.44670   0.06450
O6   0.11580   0.55050   0.18530
O7   0.88690   0.44730   0.31360
O8   0.61380   0.55230   0.43600
O9   0.05600   0.75000   0.42970
O10   0.17500   0.25000   0.45180
O11   0.42270   0.25000   0.32030
O12   0.32100   0.75000   0.30370