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: HOX(N)
;
_database_code_amcsd 0009461
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'N2 H10 C2 O5'
_cell_length_a 8.035
_cell_length_b 10.309
_cell_length_c 3.795
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 314.351
_exptl_crystal_density_diffrn      1.501
_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
N   0.38680   0.22650   0.42450
H1   0.47470   0.26770   0.26140
H2   0.43270   0.14920   0.56080
H3   0.28910   0.19810   0.27450
H4   0.34920   0.29690   0.60340
C   0.09230   0.02330   0.07050
O1   0.20170  -0.05800   0.14390
O2   0.11770   0.14060   0.00190
Ow   0.00000   0.50000   0.18790
Hw   0.09680   0.48210   0.03750
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 0.02289 0.02046 0.02072 -0.00336 0.00124 -0.00099
H1 0.02846 0.03823 0.03765 -0.00504 0.00494 0.00079
H2 0.05102 0.03607 0.03283 0.00042 -0.00201 0.00555
H3 0.03598 0.04146 0.03743 -0.00713 -0.00618 -0.00020
H4 0.04088 0.03715 0.03867 -0.00084 0.00664 -0.01189
C 0.01308 0.01669 0.01656 -0.00126 -0.00247 0.00297
O1 0.01341 0.02423 0.04042 0.00252 -0.00077 0.00991
O2 0.02028 0.01669 0.03882 -0.00420 -0.00711 0.00674
Ow 0.01472 0.02638 0.02824 0.00168 0.00000 0.00000
Hw 0.02715 0.04307 0.04465 -0.00126 0.00386 -0.00733