data_global
_amcsd_formula_title 'Hf(HPO4)2*(H2O)'
loop_
_publ_author_name
'Salvado M'
'Pertierra P'
'Garcia-Granda S'
'Garcia J'
'Rodriguez J'
'Fernandez-Diaz M'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 52 
_journal_year 1996
_journal_page_first 896
_journal_page_last 898
_publ_section_title
;
 Neutron powder diffraction study of alpha-Ti(HPO4)2*(H2O) and
 alpha-Hf(HPO4)2*(H2O); H-atom positions
 _cod_database_code 1006112
;
_database_code_amcsd 0009898
_chemical_formula_sum 'Hf P2 O9 H4'
_cell_length_a 8.9955
_cell_length_b 5.2439
_cell_length_c 16.224
_cell_angle_alpha 90
_cell_angle_beta 111.234
_cell_angle_gamma 90
_cell_volume 713.353
_exptl_crystal_density_diffrn      3.617
_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
Hf1   0.73730   0.25190   0.48530
P1  -0.02380   0.75300   0.60950
P2   0.49760   0.23400   0.61290
O1   0.12310   0.81300   0.59680
O2  -0.08300   0.47200   0.57130
O3   0.83390   0.93900   0.56100
O4   0.01200   0.74600   0.70670
O5   0.36390   0.44700   0.59010
O6   0.42870  -0.01700   0.59550
O7   0.59810   0.30300   0.55710
O8   0.60040   0.25900   0.71100
O9   0.23700   0.22200   0.74060
H1  -0.10000   0.81100   0.71670
H2   0.65900   0.07600   0.72820
H3   0.29400   0.07900   0.76300
H4   0.21200   0.22100   0.66810