data_global
_chemical_name_mineral 'Nahpoite'
loop_
_publ_author_name
'Wiench D M'
'Jansen M'
_journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_volume 501 
_journal_year 1983
_journal_page_first 95
_journal_page_last 101
_publ_section_title
;
 Kristallstruktur von wasserfreiem Na2HPO4
;
_database_code_amcsd 0015788
_chemical_formula_sum 'Na2 H P O4'
_cell_length_a 5.451
_cell_length_b 6.847
_cell_length_c 5.473
_cell_angle_alpha 90
_cell_angle_beta 116.34
_cell_angle_gamma 90
_cell_volume 183.061
_exptl_crystal_density_diffrn      2.575
_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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na1   0.00000   0.00000   0.00000   1.00000 ?
Na2   0.38760   0.25000   0.77570   1.00000 ?
H   0.64960   0.46120   0.10810   0.50000   0.02950
P   0.66230   0.25000   0.38220   1.00000 ?
O1   0.35250   0.25000   0.21440   1.00000 ?
O2   0.77010   0.25000   0.68750   1.00000 ?
O3   0.78420   0.43370   0.30010   1.00000 ?
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 0.02620 0.00950 0.01480 0.00960 0.01140 0.01140
Na2 0.03350 0.02990 0.04060 0.00000 0.01940 0.00000
P 0.01110 0.00560 0.00770 0.00000 0.00460 0.00000
O1 0.02280 0.01050 0.02880 0.00000 -0.00310 0.00000
O2 0.02270 0.00700 0.01000 0.00000 0.00390 0.00000
O3 0.03000 0.01380 0.01910 -0.00060 0.01320 0.00810