H3 K2 O8 P S Averbuch-Pouchot M, Durif A Materials Research Bulletin 15 (1980) 427-430 Crystal structure of (K H SO4)(K H2 P O4) _cod_database_code 1007141 _database_code_amcsd 0014284 CELL PARAMETERS: 7.4340 7.3410 7.1480 90.000 99.560 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 384.670 Density (g/cm3): 2.324 MAX. ABS. INTENSITY / VOLUME**2: 8.855598327 RIR: 1.241 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.93 3.39 5.5636 -1 0 1 2 17.09 1.17 5.1872 1 1 0 4 17.44 1.27 5.0844 0 1 1 4 18.86 5.53 4.7055 1 0 1 2 20.03 19.40 4.4340 -1 1 1 4 22.44 9.05 3.9615 1 1 1 4 24.25 66.57 3.6705 0 2 0 2 24.28 83.30 3.6654 2 0 0 2 25.27 8.92 3.5244 0 0 2 2 27.17 41.15 3.2821 1 2 0 4 27.19 6.27 3.2793 2 1 0 4 28.09 100.00 3.1772 0 1 2 4 28.26 10.10 3.1582 -2 1 1 4 28.91 34.47 3.0888 -1 1 2 4 30.90 5.89 2.8941 1 2 1 4 31.76 6.68 2.8175 2 1 1 4 32.18 2.24 2.7818 -2 0 2 2 34.48 27.90 2.6013 -2 1 2 4 34.58 24.80 2.5936 2 2 0 4 36.88 10.08 2.4375 -3 0 1 2 38.23 5.24 2.3540 -1 0 3 2 38.25 19.73 2.3528 2 0 2 2 38.36 1.29 2.3464 2 2 1 4 38.84 5.77 2.3185 3 1 0 4 38.93 1.05 2.3133 -3 1 1 4 38.96 9.29 2.3117 0 3 1 4 40.23 1.99 2.2416 -1 1 3 4 40.25 20.90 2.2405 2 1 2 4 40.26 4.19 2.2399 -1 3 1 4 42.30 1.85 2.1367 1 0 3 2 43.19 12.81 2.0944 -3 1 2 4 44.52 2.65 2.0352 2 3 0 4 44.54 2.64 2.0341 3 2 0 4 44.63 9.33 2.0305 -3 2 1 4 45.11 10.58 2.0100 0 3 2 4 45.66 24.61 1.9871 -1 3 2 4 45.79 1.56 1.9815 -1 2 3 4 45.81 9.99 1.9808 2 2 2 4 45.86 1.18 1.9789 0 2 3 4 47.64 6.47 1.9089 2 3 1 4 48.06 5.44 1.8933 1 3 2 4 48.25 2.00 1.8861 3 2 1 4 49.13 1.73 1.8545 -3 0 3 2 49.17 3.09 1.8530 -2 2 3 4 50.78 3.66 1.7980 -3 1 3 4 51.32 3.62 1.7803 1 4 0 4 51.39 1.41 1.7781 4 1 0 4 52.96 1.31 1.7291 3 3 0 4 53.85 1.97 1.7024 -2 0 4 2 53.88 3.94 1.7016 -4 1 2 4 54.07 8.77 1.6960 2 3 2 4 55.17 1.68 1.6649 3 2 2 4 55.80 1.26 1.6476 2 2 3 4 56.09 2.71 1.6397 4 2 0 4 56.46 9.27 1.6299 -3 3 2 4 57.24 1.33 1.6095 1 3 3 4 57.49 2.18 1.6030 -1 2 4 4 58.06 3.63 1.5886 0 2 4 4 59.89 3.57 1.5444 -2 2 4 4 60.71 2.27 1.5256 4 0 2 2 62.12 1.53 1.4942 2 0 4 2 62.15 2.07 1.4937 4 1 2 4 62.56 1.39 1.4849 3 3 2 4 62.98 1.13 1.4758 -4 3 1 4 63.38 6.09 1.4675 3 4 0 4 63.54 5.58 1.4642 2 1 4 4 64.26 1.63 1.4495 -4 2 3 4 64.71 1.50 1.4405 -1 3 4 4 64.85 1.35 1.4378 5 1 0 4 65.06 2.21 1.4336 -3 2 4 4 66.36 3.11 1.4087 4 2 2 4 67.32 4.16 1.3909 -4 0 4 2 67.36 1.25 1.3901 5 0 1 2 67.70 1.32 1.3839 2 2 4 4 68.53 3.85 1.3693 1 3 4 4 68.89 1.12 1.3629 2 5 0 4 69.74 1.26 1.3485 -5 0 3 2 69.75 4.00 1.3482 -1 5 2 4 71.10 1.15 1.3260 -4 3 3 4 71.61 2.58 1.3178 1 5 2 4 72.15 1.06 1.3092 3 4 2 4 72.70 2.70 1.3006 -4 2 4 4 72.74 1.21 1.3000 5 2 1 4 74.17 5.28 1.2785 -1 4 4 4 74.76 1.97 1.2698 -5 3 1 4 75.61 2.07 1.2577 5 3 0 4 77.78 1.95 1.2279 1 4 4 4 78.48 1.17 1.2187 -6 0 2 2 78.48 3.70 1.2187 -3 5 2 4 79.41 2.17 1.2068 1 6 0 4 79.77 1.38 1.2023 -6 1 2 4 80.97 2.03 1.1874 -3 4 4 4 83.11 1.11 1.1621 -2 1 6 4 83.16 3.03 1.1616 4 1 4 4 83.80 1.22 1.1544 3 5 2 4 84.60 1.86 1.1455 5 4 0 4 85.74 1.28 1.1331 -1 5 4 4 86.92 1.49 1.1208 -2 2 6 4 88.97 1.08 1.1001 -5 1 5 4 89.25 1.11 1.0975 1 5 4 4 89.60 2.44 1.0940 3 6 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.