data_global
_amcsd_formula_title 'Na2HPO4*7H2O'
loop_
_publ_author_name
'Baur W H'
'Khan A A'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 26 
_journal_year 1970
_journal_page_first 1584
_journal_page_last 1596
_publ_section_title
;
 On the crystal chemistry of salt hydrates. VI. The crystal structures of disodium
 hydrogen orthoarsenate heptahydrate and of disodium hydrogen orthophosphate heptahydrate
;
_database_code_amcsd 0009379
_chemical_formula_sum 'Na2 P O11 H15'
_cell_length_a 9.258
_cell_length_b 11.007
_cell_length_c 10.437
_cell_angle_alpha 90
_cell_angle_beta 95.61
_cell_angle_gamma 90
_cell_volume 1058.466
_exptl_crystal_density_diffrn      1.682
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-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
Na1   0.14040   0.10430   0.47560
Na2   0.63380   0.10530   0.97710
P   0.10240   0.26330   0.89550
O1   0.25640   0.25220   0.85400
O2   0.09970   0.24920   0.04030
O3   0.98990   0.18320   0.81900
O-H4   0.56130   0.09680   0.36120
Wat5   0.47590   0.25420   0.05720
Wat6   0.80410   0.25070   0.09510
Wat7   0.19440   0.25030   0.30980
Wat8   0.92120   0.02320   0.35180
Wat9   0.30630   0.98720   0.36800
Wat10   0.40820   0.03470   0.86180
Wat11   0.17810   0.00460   0.10850
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na1 0.03066 0.02523 0.03389 -0.00247 0.01096 -0.00122
Na2 0.02821 0.03026 0.02542 0.00000 0.00606 0.00243
P 0.01471 0.01762 0.01448 0.00123 0.00000 0.00243
O1 0.01596 0.03529 0.02416 -0.00370 0.00485 -0.00122
O2 0.03066 0.03278 0.01815 0.00493 0.00364 0.00243
O3 0.02331 0.03910 0.02782 -0.00493 -0.00242 0.00122
O-H4 0.03436 0.03155 0.02782 -0.00745 0.01096 -0.00863
Wat5 0.02576 0.03278 0.02902 0.00123 0.00242 0.00000
Wat6 0.02946 0.04290 0.02782 -0.00123 0.00485 0.00243
Wat7 0.03312 0.03529 0.02175 0.00370 0.00000 0.00492
Wat8 0.03191 0.04922 0.03263 -0.00247 0.00242 -0.00122
Wat9 0.02576 0.03278 0.02416 0.00370 0.00000 -0.00243
Wat10 0.04051 0.03155 0.02782 -0.00123 -0.00364 0.00492
Wat11 0.03681 0.03406 0.02662 0.00622 0.00727 -0.00122