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(XR) ; _database_code_amcsd 0009458 _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 _atom_site_U_iso_or_equiv N 0.38760 0.22640 0.42490 ? 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 0.09170 0.02300 0.07070 ? O1 0.20210 -0.05910 0.14160 ? O2 0.11780 0.14060 0.00200 ? 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 0.02780 0.02638 0.02751 -0.00546 0.00077 -0.00218 C 0.01962 0.02800 0.02072 -0.00420 -0.00433 -0.00059 O1 0.01962 0.02584 0.04582 0.00462 0.00000 0.01070 O2 0.02420 0.02046 0.04691 -0.00546 -0.00572 0.00674 Ow 0.02388 0.03230 0.03765 -0.00252 0.00000 0.00000