data_global
_chemical_name_mineral 'Stercorite'
loop_
_publ_author_name
'Ferraris G'
'Franchini-Angela M'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 30 
_journal_year 1974
_journal_page_first 504
_journal_page_last 510
_publ_section_title
;
 Hydrogen bonding in the crystalline state. Crystal structure and twinning of
 NaNH4HPO4*4H2O (Stercorite)
;
_database_code_amcsd 0009501
_chemical_compound_source 'guano deposits'
_chemical_formula_sum 'N Na P O8 H9'
_cell_length_a 10.636
_cell_length_b 6.9187
_cell_length_c 6.4359
_cell_angle_alpha 90.46
_cell_angle_beta 97.87
_cell_angle_gamma 109.20
_cell_volume 442.331
_exptl_crystal_density_diffrn      1.539
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
NH4  -0.00460   0.20480   0.21990
Na   0.53170   0.76610   0.03420
P   0.73140   0.36460   0.44350
O1   0.80750   0.40440   0.25300
O2   0.75810   0.56160   0.57360
O-H3   0.57670   0.28780   0.33920
O4   0.75780   0.19610   0.57160
Wat5   0.61340   0.80640   0.40780
Wat6   0.65520   0.56190  -0.05630
Wat7   0.65570   0.09360  -0.05700
Wat8  -0.00280   0.79030   0.22650
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
NH4 0.03075 0.03456 0.04673 0.01671 0.01076 0.00013
Na 0.03280 0.02354 0.04078 0.00985 0.01416 0.00658
P 0.01985 0.01785 0.02722 0.00657 0.01124 0.00568
O1 0.02165 0.02759 0.03356 0.00594 0.01429 0.00658
O2 0.03165 0.02164 0.03963 0.01037 0.01063 0.00126
O-H3 0.02505 0.03671 0.03963 0.00719 0.01124 0.00555
O4 0.03445 0.02367 0.04091 0.01139 0.01201 0.01100
Wat5 0.03255 0.02367 0.04458 0.00909 0.01467 0.00721
Wat6 0.04115 0.03811 0.04015 0.02039 0.01848 0.00949
Wat7 0.03950 0.02710 0.03924 0.00568 0.01759 0.00658
Wat8 0.03875 0.03962 0.05661 0.00975 0.00910 0.01317