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: NOX(XR)
;
_database_code_amcsd 0009459
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'N2 H10 C2 O5'
_cell_length_a 8.025
_cell_length_b 10.300
_cell_length_c 3.799
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 314.016
_exptl_crystal_density_diffrn      1.503
_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   0.38690   0.22620   0.42530 ?
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   0.09270   0.02440   0.07020 ?
O1   0.20170  -0.05870   0.14100 ?
O2   0.11820   0.14080   0.00150 ?
Ow   0.00000   0.50000   0.18600 ?
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 0.02610 0.02257 0.02756 -0.00419 0.00015 -0.00040
C 0.01860 0.02150 0.01967 -0.00335 -0.00108 0.00000
O1 0.01958 0.02526 0.04650 0.00167 -0.00031 0.01031
O2 0.02349 0.02096 0.04380 -0.00628 -0.00680 0.00912
Ow 0.02153 0.03117 0.03860 0.00000 0.00000 0.00000