Ca2(NH4)2P6O18.6H2O Averbuch-Pouchot M T Acta Crystallographica C46 (1990) 2005-2007 Crystal chemistry of cyclo-hexaphosphates. XII. structure of ammonium calcium cyclo-hexaphosphate hexahydrate _database_code_amcsd 0010197 CELL PARAMETERS: 12.8210 12.5370 7.0290 90.000 90.000 90.000 SPACE GROUP: P2_12_12_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1129.819 Density (g/cm3): 2.208 MAX. ABS. INTENSITY / VOLUME**2: 6.561658047 RIR: 0.968 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.13 17.26 6.2685 0 2 0 2 14.37 16.41 6.1635 1 0 1 4 14.45 88.10 6.1311 0 1 1 4 15.53 31.23 5.7076 2 1 0 4 15.74 100.00 5.6314 1 2 0 4 16.02 7.55 5.5312 1 1 1 4 18.73 1.05 4.7365 2 0 1 4 18.97 17.40 4.6784 0 2 1 4 20.04 9.58 4.4308 2 1 1 4 20.21 14.79 4.3949 1 2 1 4 21.97 6.29 4.0451 3 1 0 4 23.54 9.24 3.7790 2 2 1 4 24.38 6.26 3.6517 3 0 1 4 24.79 3.45 3.5921 0 3 1 4 25.40 21.04 3.5060 3 1 1 4 25.44 5.33 3.5008 2 3 0 4 25.76 4.28 3.4589 1 3 1 4 26.29 78.77 3.3895 1 0 2 4 26.34 6.94 3.3840 0 1 2 4 27.26 34.35 3.2720 1 1 2 4 27.83 2.88 3.2053 4 0 0 2 28.28 32.52 3.1553 3 2 1 4 28.48 23.82 3.1342 0 4 0 2 28.48 3.81 3.1337 2 3 1 4 28.75 28.68 3.1054 4 1 0 4 28.97 1.21 3.0817 2 0 2 4 29.13 11.25 3.0656 0 2 2 4 29.33 1.26 3.0446 1 4 0 4 29.86 2.85 2.9927 2 1 2 4 29.97 20.51 2.9815 1 2 2 4 30.66 3.26 2.9163 4 0 1 4 31.50 7.19 2.8405 4 1 1 4 32.37 20.42 2.7656 2 2 2 4 32.56 38.04 2.7498 3 3 1 4 33.00 4.99 2.7145 3 0 2 4 33.31 4.86 2.6898 0 3 2 4 33.79 15.93 2.6530 3 1 2 4 33.90 3.31 2.6442 4 2 1 4 34.06 1.85 2.6324 1 3 2 4 34.31 4.91 2.6138 2 4 1 4 35.29 1.99 2.5433 4 3 0 4 35.52 5.33 2.5274 3 4 0 4 35.74 2.93 2.5122 5 1 0 4 36.06 5.98 2.4910 3 2 2 4 36.22 1.15 2.4803 2 3 2 4 37.61 2.61 2.3916 4 3 1 4 37.91 1.42 2.3733 5 2 0 4 37.99 2.53 2.3683 4 0 2 4 38.04 1.81 2.3656 5 1 1 4 38.10 5.80 2.3616 0 5 1 4 38.77 6.37 2.3226 1 5 1 4 39.08 1.36 2.3048 1 0 3 4 39.15 4.96 2.3012 1 4 2 4 39.59 3.60 2.2764 3 3 2 4 39.76 2.02 2.2668 1 1 3 4 40.72 1.90 2.2160 2 5 1 4 40.73 2.99 2.2154 4 2 2 4 41.08 5.65 2.1975 2 4 2 4 41.67 5.37 2.1675 2 1 3 4 42.30 9.86 2.1368 6 0 0 2 42.94 1.67 2.1065 6 1 0 4 43.36 4.44 2.0870 5 3 1 4 43.59 1.57 2.0764 2 2 3 4 43.80 2.09 2.0670 3 5 1 4 43.94 1.68 2.0604 4 3 2 4 44.08 1.21 2.0545 3 0 3 4 44.32 7.87 2.0438 5 1 2 4 44.32 1.12 2.0437 0 3 3 4 44.38 4.75 2.0412 0 5 2 4 44.91 3.66 2.0182 1 3 3 4 44.92 2.89 2.0178 6 1 1 4 44.97 2.24 2.0158 1 5 2 4 45.86 1.53 1.9789 1 6 1 4 45.95 2.65 1.9749 4 5 0 4 46.52 2.29 1.9523 3 2 3 4 46.65 2.44 1.9471 2 3 3 4 46.74 1.81 1.9437 6 2 1 4 47.56 2.61 1.9117 2 6 1 4 48.16 3.31 1.8895 4 4 2 4 49.09 1.99 1.8560 5 3 2 4 49.64 2.56 1.8365 6 3 1 4 50.31 4.31 1.8136 3 6 1 4 50.69 1.90 1.8010 2 4 3 4 51.78 5.87 1.7656 6 4 0 4 52.12 2.38 1.7549 7 1 1 4 52.59 1.87 1.7402 0 1 4 4 52.69 2.50 1.7371 5 5 1 4 52.94 1.67 1.7294 2 6 2 4 53.11 1.36 1.7244 1 1 4 4 53.15 3.71 1.7232 4 3 3 4 53.20 1.57 1.7217 4 5 2 4 53.26 3.46 1.7199 1 7 1 4 53.51 1.31 1.7124 6 4 1 4 53.53 1.26 1.7119 0 5 3 4 53.98 2.35 1.6985 4 6 1 4 54.72 8.82 1.6775 1 2 4 4 54.87 2.41 1.6731 6 3 2 4 55.56 1.09 1.6540 2 5 3 4 55.64 1.13 1.6518 3 7 0 4 56.39 2.77 1.6317 7 3 1 4 56.67 3.29 1.6242 7 0 2 4 56.85 5.63 1.6195 4 4 3 4 57.15 1.03 1.6117 3 1 4 4 57.19 1.14 1.6108 7 1 2 4 57.73 2.69 1.5970 5 5 2 4 58.23 3.25 1.5845 6 5 1 4 58.47 1.48 1.5784 5 6 1 4 58.72 1.09 1.5723 7 2 2 4 59.63 1.72 1.5505 8 1 1 4 59.96 1.62 1.5428 7 4 1 4 60.54 1.39 1.5294 4 1 4 4 60.87 1.28 1.5219 1 4 4 4 61.01 1.20 1.5188 1 8 1 4 61.16 1.20 1.5153 2 6 3 4 61.40 1.65 1.5100 4 5 3 4 62.28 1.43 1.4908 2 4 4 4 63.50 1.62 1.4650 3 6 3 4 64.37 1.32 1.4473 7 5 1 4 64.45 1.91 1.4457 4 3 4 4 64.63 1.12 1.4421 7 4 2 4 64.87 1.23 1.4373 5 7 1 4 65.06 1.15 1.4335 7 1 3 4 65.75 1.25 1.4203 8 2 2 4 67.50 1.55 1.3876 9 1 1 4 67.90 1.26 1.3804 4 8 1 4 68.83 1.13 1.3640 7 3 3 4 70.48 2.11 1.3360 6 5 3 4 70.70 1.29 1.3324 5 6 3 4 71.75 1.86 1.3155 8 1 3 4 71.87 1.62 1.3136 5 8 1 4 72.30 1.13 1.3069 4 8 2 4 73.07 1.14 1.2950 0 9 2 4 74.30 1.02 1.2765 2 8 3 4 76.67 1.24 1.2429 7 2 4 4 77.14 1.04 1.2365 10 2 1 4 77.73 2.30 1.2285 3 4 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.