H11 N2 O8 P S Averbuch-Pouchot M Materials Research Bulletin 16 (1981) 407-411 Hydrogen bonding in (N H4) (H S O4) (N H4) (H2 P O4) _cod_database_code 1008248 _database_code_amcsd 0016170 CELL PARAMETERS: 7.7230 7.5400 7.4820 90.000 101.320 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 427.212 Density (g/cm3): 1.789 MAX. ABS. INTENSITY / VOLUME**2: 4.313342625 RIR: 0.785 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.07 73.91 5.8772 -1 0 1 2 16.86 25.76 5.2581 0 1 1 4 18.42 33.48 4.8178 1 0 1 2 19.15 77.51 4.6354 -1 1 1 4 21.89 74.67 4.0598 1 1 1 4 23.50 96.41 3.7864 2 0 0 2 23.60 42.73 3.7700 0 2 0 2 24.26 7.55 3.6682 0 0 2 2 26.41 69.65 3.3749 1 2 0 4 26.58 11.11 3.3532 0 2 1 4 27.01 31.47 3.3007 -2 1 1 4 27.03 100.00 3.2986 0 1 2 4 27.52 69.42 3.2408 -1 1 2 4 30.10 19.43 2.9690 1 2 1 4 30.42 2.82 2.9386 -2 0 2 2 30.99 3.38 2.8861 2 1 1 4 31.44 1.49 2.8458 1 1 2 4 32.71 13.62 2.7380 -2 1 2 4 33.54 15.75 2.6716 2 2 0 4 34.09 2.79 2.6302 -2 2 1 4 35.26 4.61 2.5456 -3 0 1 2 36.32 1.86 2.4735 -1 0 3 2 37.28 1.64 2.4118 -3 1 1 4 37.33 17.40 2.4089 2 0 2 2 37.58 4.76 2.3937 3 1 0 4 37.84 4.14 2.3777 0 3 1 4 38.71 1.45 2.3262 0 1 3 4 38.86 1.03 2.3177 -2 2 2 4 38.98 2.32 2.3109 -1 3 1 4 39.26 26.82 2.2946 2 1 2 4 40.48 9.61 2.2283 1 3 1 4 41.01 24.71 2.2009 -3 1 2 4 41.82 1.08 2.1601 3 1 1 4 42.87 6.42 2.1097 -3 2 1 4 43.13 4.46 2.0975 3 2 0 4 43.20 1.72 2.0940 2 3 0 4 43.64 2.70 2.0739 -2 3 1 4 43.66 3.27 2.0734 0 3 2 4 43.77 1.06 2.0681 -1 2 3 4 43.98 20.52 2.0588 -1 3 2 4 44.64 4.42 2.0299 2 2 2 4 46.22 1.34 1.9641 -3 2 2 4 46.35 4.91 1.9591 -3 0 3 2 46.69 8.05 1.9455 1 3 2 4 46.76 8.70 1.9428 -2 2 3 4 46.96 5.10 1.9350 3 2 1 4 47.61 5.47 1.9100 -2 3 2 4 47.80 7.67 1.9027 1 2 3 4 51.22 1.30 1.7835 -4 1 2 4 52.19 3.41 1.7527 0 3 3 4 52.63 8.68 1.7391 2 3 2 4 53.77 1.61 1.7050 3 2 2 4 54.03 8.96 1.6972 -3 3 2 4 54.22 1.50 1.6918 4 2 0 4 54.51 1.75 1.6834 -2 3 3 4 54.69 1.06 1.6783 3 3 1 4 54.84 2.73 1.6741 -1 2 4 4 55.45 2.26 1.6571 1 3 3 4 55.73 2.71 1.6493 0 2 4 4 57.06 1.27 1.6140 2 4 1 4 57.38 3.37 1.6059 3 0 3 2 59.42 1.41 1.5554 1 2 4 4 60.23 2.10 1.5366 2 0 4 2 60.53 3.38 1.5295 4 1 2 4 60.55 3.69 1.5292 -4 3 1 4 60.87 4.66 1.5218 -4 2 3 4 60.89 3.12 1.5215 3 3 2 4 61.30 1.11 1.5122 4 3 0 4 61.38 7.05 1.5103 3 4 0 4 61.49 4.22 1.5079 -3 2 4 4 61.60 3.81 1.5056 2 1 4 4 61.88 1.34 1.4995 -1 3 4 4 62.18 2.95 1.4930 0 4 3 4 62.55 1.41 1.4849 5 1 0 4 62.90 4.56 1.4775 3 2 3 4 63.29 5.62 1.4693 -4 0 4 2 64.27 2.34 1.4494 -2 4 3 4 64.88 2.17 1.4372 4 3 1 4 65.61 1.43 1.4229 2 2 4 4 65.85 2.45 1.4182 -5 0 3 2 66.16 2.68 1.4124 1 3 4 4 66.53 1.80 1.4054 5 2 0 4 67.35 2.42 1.3903 -1 5 2 4 68.50 1.77 1.3697 -3 1 5 4 68.54 1.13 1.3690 -4 2 4 4 69.42 1.08 1.3538 1 5 2 4 71.03 6.21 1.3270 -1 4 4 4 71.73 1.10 1.3159 -5 3 1 4 72.76 1.13 1.2998 -2 4 4 4 73.18 1.27 1.2933 -5 3 2 4 74.00 1.86 1.2810 3 2 4 4 74.88 1.09 1.2681 -2 3 5 4 74.95 2.71 1.2672 0 3 5 4 75.06 3.44 1.2655 1 4 4 4 75.36 3.64 1.2613 -3 5 2 4 75.80 1.92 1.2550 -6 1 2 4 76.92 1.24 1.2395 -3 4 4 4 79.59 1.46 1.2044 4 0 4 2 80.54 2.15 1.1927 2 6 0 4 80.81 1.94 1.1894 4 1 4 4 80.85 1.35 1.1888 0 6 2 4 81.53 3.37 1.1807 5 4 0 4 82.00 1.23 1.1751 -2 2 6 4 82.14 1.56 1.1735 -1 5 4 4 83.03 1.24 1.1631 5 3 2 4 83.18 2.85 1.1614 -5 1 5 4 83.43 1.04 1.1586 3 1 5 4 84.14 1.62 1.1505 -6 0 4 2 84.61 1.65 1.1454 -6 3 1 4 86.90 1.97 1.1209 -4 1 6 4 87.12 1.39 1.1187 1 2 6 4 89.08 1.07 1.0991 -2 6 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.