data_global _amcsd_formula_title 'Cr(HP2O7)(NH3)3(H2O).2H2O' loop_ _publ_author_name 'Haromy T P' 'Linck C F' 'Cleland W W' 'Sundaralingam M' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 951 _journal_page_last 957 _publ_section_title ; Structures of the meridional and facial isomers of triamminechromium pyrophosphate dihydrate Sample: a) meridional monoaquatriammine(pyrophosphato)-chromiun(III) dihydrate ; _database_code_amcsd 0010133 _chemical_formula_sum 'Cr P2 O10 N3 H22' _cell_length_a 7.825 _cell_length_b 10.107 _cell_length_c 15.322 _cell_angle_alpha 90 _cell_angle_beta 103.92 _cell_angle_gamma 90 _cell_volume 1176.188 _exptl_crystal_density_diffrn 1.909 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-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 Cr 0.34410 0.18990 0.06810 0.02381 P1 0.69200 0.27860 0.00630 0.02533 P2 0.64460 0.38830 0.17420 0.02824 O1P1 0.51930 0.20390 -0.00280 0.03356 O2P1 0.83850 0.19250 -0.00680 0.03800 O3P1 0.66780 0.40290 -0.04940 0.04066 OP12 0.75580 0.32510 0.11030 0.03749 O1P2 0.46680 0.31950 0.15420 0.03407 O2P2 0.75280 0.37420 0.26700 0.04255 O3P2 0.62340 0.53620 0.15060 0.04382 Wat1 0.20820 0.06010 -0.01950 0.04825 N1 0.16520 0.17260 0.14640 0.03914 N2 0.47910 0.03310 0.13770 0.03724 N3 0.19180 0.33270 -0.00900 0.03964 Wat2 0.11220 0.10540 -0.19850 0.07080 Wat3 0.80530 0.10120 0.29840 0.07878 HO3P2 0.55000 0.55700 0.11600 0.04686 H1W1 0.18900 -0.02800 0.00700 0.04939 H2W1 0.17500 0.07000 -0.08700 0.05446 H1N1 0.19200 0.22700 0.20100 0.05446 H2N1 0.14700 0.09200 0.16200 0.05066 H3N1 0.07900 0.19500 0.11700 0.06079 H1N2 0.40600 -0.01900 0.16000 0.05446 H2N2 0.51000 -0.01500 0.09500 0.07346 H3N2 0.55200 0.05800 0.18200 0.04686 H1N3 0.21600 0.41500 0.01300 0.06586 H2N3 0.23200 0.33000 -0.06400 0.06713 H3N3 0.06300 0.31900 -0.02100 0.06333 H1W2 0.12300 0.02000 -0.23300 0.06079 H2W2 -0.01100 0.11900 -0.20700 0.06586 H1W3 0.79500 0.19400 0.28700 0.06459 H2W3 0.76800 0.09600 0.35000 0.06839