data_global
_amcsd_formula_title 'VO(HPO4)*2H2O'
loop_
_publ_author_name
'Le Bail A'
'Ferey G'
'Amoros P'
'Beltran-Portier D'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 26 
_journal_year 1989
_journal_page_first 419
_journal_page_last 426
_publ_section_title
;
 Structure of vanadyl hydrogenphosphate dihydrate alpha-VO(HPO4)*2H2O
 solved from X-ray and neutron powder diffraction
 _cod_database_code 1000083
;
_database_code_amcsd 0012528
_chemical_formula_sum 'V P O7'
_cell_length_a 7.613
_cell_length_b 7.431
_cell_length_c 9.482
_cell_angle_alpha 90
_cell_angle_beta 95.44
_cell_angle_gamma 90
_cell_volume 534.002
_exptl_crystal_density_diffrn      2.412
_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
V   0.52480   0.14630   0.25720
P   0.28110   0.14970   0.51280
O1   0.30620   0.13840   0.35100
O2   0.37950   0.31860   0.57820
O3   0.32820   0.97280   0.59910
O4   0.07270   0.18510   0.51250
O5   0.71710   0.09110   0.12650
O6   0.57170   0.14830   0.79520
O7   0.97620   0.41740   0.27090