data_global _amcsd_formula_title 'H10 N2 O7 P2' loop_ _publ_author_name 'Averbuch-Pouchot M' 'Durif A' _journal_name_full 'European Journal of Solid State and Inorganic Chemistry' _journal_volume 29 _journal_year 1992 _journal_page_first 191 _journal_page_last 198 _publ_section_title ; Crystal structure of diammonium-dihydrogeno-diphosphate: (NH4)2H2P2O7 _cod_database_code 1007205 ; _database_code_amcsd 0012549 _chemical_formula_sum 'P2 O7 N2 H10' _cell_length_a 9.058 _cell_length_b 11.199 _cell_length_c 7.764 _cell_angle_alpha 90 _cell_angle_beta 108.40 _cell_angle_gamma 90 _cell_volume 747.320 _exptl_crystal_density_diffrn 1.885 _symmetry_space_group_name_H-M 'P 1 21/a 1' 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 P1 0.70704 0.02085 0.76650 P2 0.79628 0.00622 0.16960 O1 0.81400 0.01410 0.97140 O2 0.55680 -0.05590 0.72870 O3 0.79830 -0.02870 0.65090 O4 0.67580 0.15170 0.75820 O5 0.64880 -0.05350 0.17270 O6 0.93870 -0.06600 0.28980 O7 0.80890 0.13730 0.21070 N1 -0.01120 0.75020 0.96780 N2 0.14990 0.73180 0.45880 H1 0.04900 0.69000 0.03900 H2 0.53700 0.71800 0.89900 H3 0.53300 0.30200 0.95800 H4 0.39800 0.78000 0.90700 H5 0.30000 0.16700 0.50000 H6 0.44600 0.21400 0.60900 H7 0.14800 0.78800 0.54800 H8 0.20000 0.75400 0.40300 H9 0.00900 0.52000 0.74800 H10 0.02700 0.96700 0.32300 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 P1 0.01660 0.01600 0.01810 -0.00190 0.00820 -0.00260 P2 0.01360 0.01300 0.01780 0.00020 0.00560 -0.00030 O1 0.02040 0.02600 0.01980 0.00480 0.00860 -0.00100 O2 0.01630 0.02400 0.03500 -0.00470 0.01160 -0.00780 O3 0.02120 0.03700 0.02610 -0.00740 0.01390 -0.01400 O4 0.03300 0.01800 0.02800 0.00040 0.01250 0.00310 O5 0.01510 0.02300 0.03000 -0.00430 0.01030 -0.00270 O6 0.01720 0.01980 0.03000 0.00120 0.00240 0.00700 O7 0.02670 0.01380 0.02200 -0.00040 0.00840 -0.00210 N1 0.02500 0.01900 0.03100 -0.00100 0.01100 0.00000 N2 0.03200 0.01900 0.02200 0.00200 0.00800 0.00000