data_global
_chemical_name_mineral 'Oxammite'
loop_
_publ_author_name
'Taylor J C'
'Sabine T M'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 28 
_journal_year 1972
_journal_page_first 3340
_journal_page_last 3351
_publ_section_title
;
 Isotope and bonding effects in ammonium oxalate monohydrate, determined by the
 combined use of neutron and X-ray diffraction analyses
 Sample: DOX(XR)
;
_database_code_amcsd 0009460
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'N2 H10 C2 O5'
_cell_length_a 8.027
_cell_length_b 10.298
_cell_length_c 3.816
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 315.438
_exptl_crystal_density_diffrn      1.496
_symmetry_space_group_name_H-M 'P 21 21 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,1/2+y,-z'
  '1/2+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_U_iso_or_equiv
N   0.38670   0.22650   0.42590 ?
H1   0.47490   0.26570   0.29020   0.05066
H2   0.42480   0.15190   0.54250   0.05066
H3   0.29120   0.20070   0.28820   0.05066
H4   0.35530   0.29350   0.58100   0.05066
C   0.09290   0.02440   0.07100 ?
O1   0.20150  -0.05890   0.14100 ?
O2   0.11780   0.14080   0.00180 ?
Ow   0.00000   0.50000   0.18770 ?
Hw   0.08410   0.48290   0.04670   0.05066
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
N 0.02611 0.02149 0.02870 -0.00503 0.00062 -0.00119
C 0.01926 0.02042 0.01933 -0.00126 -0.00171 0.00040
O1 0.01893 0.02256 0.04603 0.00209 -0.00031 0.01055
O2 0.02285 0.01289 0.04736 -0.00503 -0.00776 0.00776
Ow 0.02154 0.03116 0.03821 0.00042 0.00000 0.00000