Ca2 H16 Li2 O26 P6 Averbuch-Pouchot M, Durif A Acta Crystallographica C46 (1990) 968-970 Crystal chemistry of cyclo-hexaphosphates. X.Structure of dicalcium dilithium cyclo-hexaphosphate octahydrate _cod_database_code 1007192 _database_code_amcsd 0010141 CELL PARAMETERS: 7.7670 10.1440 7.2250 105.170 102.760 84.950 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 535.566 Density (g/cm3): 2.207 MAX. ABS. INTENSITY / VOLUME**2: 3.579523397 RIR: 0.528 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.04 85.45 9.7855 0 1 0 2 12.97 15.29 6.8240 0 0 1 2 13.85 10.00 6.3953 0 -1 1 2 14.56 52.93 6.0834 1 1 0 2 15.02 69.47 5.8972 -1 1 0 2 15.59 100.00 5.6839 -1 0 1 2 16.12 10.23 5.4997 -1 -1 1 2 17.60 16.83 5.0388 0 1 1 2 18.13 31.12 4.8927 0 2 0 2 19.51 17.70 4.5496 0 -2 1 2 19.80 36.83 4.4842 -1 1 1 2 20.00 34.48 4.4400 1 -1 1 2 21.03 1.93 4.2236 -1 -2 1 2 21.30 2.34 4.1709 1 2 0 2 21.94 5.90 4.0505 -1 2 0 2 22.48 3.88 3.9550 1 1 1 2 23.50 24.49 3.7856 2 0 0 2 24.45 26.42 3.6405 1 -2 1 2 24.63 4.75 3.6140 -2 -1 1 2 24.90 20.40 3.5764 0 2 1 2 24.95 9.21 3.5694 2 1 0 2 25.41 1.79 3.5049 0 -1 2 2 25.50 68.19 3.4931 -2 1 0 2 26.12 22.06 3.4120 0 0 2 2 26.35 77.26 3.3823 -1 0 2 2 26.65 2.09 3.3446 -1 2 1 2 27.20 4.46 3.2781 0 -3 1 2 27.87 57.68 3.2013 -1 -2 2 2 27.90 1.28 3.1977 0 -2 2 2 28.03 25.32 3.1832 -2 -2 1 2 28.21 12.66 3.1633 -1 -3 1 2 28.49 8.87 3.1333 1 2 1 2 29.24 28.07 3.0545 2 0 1 2 29.36 1.44 3.0417 2 2 0 2 29.47 16.81 3.0312 1 3 0 2 29.80 7.10 2.9978 0 1 2 2 29.89 13.34 2.9895 2 -1 1 2 30.13 2.37 2.9662 -1 1 2 2 30.18 64.69 2.9613 -1 3 0 2 30.40 13.96 2.9406 1 -1 2 2 30.88 9.73 2.8955 1 0 2 2 31.12 4.16 2.8740 1 -3 1 2 31.42 13.22 2.8471 2 1 1 2 31.48 3.13 2.8419 -2 0 2 2 32.65 9.44 2.7430 1 -2 2 2 32.78 2.39 2.7319 -1 -3 2 2 32.92 1.31 2.7209 0 -3 2 2 32.97 7.95 2.7166 -2 2 1 2 33.22 1.45 2.6969 2 -2 1 2 33.99 20.99 2.6372 1 1 2 2 34.85 3.03 2.5740 -2 1 2 2 35.29 2.09 2.5435 -3 0 1 2 35.33 1.16 2.5404 -3 -1 1 2 35.57 6.65 2.5238 3 0 0 2 35.64 2.19 2.5194 0 2 2 2 35.76 28.60 2.5113 2 3 0 2 35.77 10.22 2.5103 0 -4 1 2 35.97 11.35 2.4967 2 2 1 2 36.00 9.94 2.4947 1 3 1 2 36.46 5.89 2.4640 -1 -4 1 2 36.48 2.55 2.4630 3 1 0 2 36.74 9.05 2.4464 0 4 0 2 36.82 32.65 2.4412 -2 -3 2 2 37.07 2.28 2.4250 -3 1 0 2 37.19 7.57 2.4179 1 -3 2 2 37.52 9.33 2.3974 -1 -1 3 2 37.76 10.35 2.3822 -3 -2 1 2 38.33 2.52 2.3485 0 -1 3 2 38.41 7.76 2.3437 -1 -2 3 2 38.62 5.52 2.3314 2 -3 1 2 38.93 2.31 2.3136 -1 0 3 2 39.18 6.74 2.2991 1 2 2 2 39.62 4.48 2.2748 0 -4 2 2 39.65 10.48 2.2729 3 2 0 2 40.22 1.56 2.2421 -2 2 2 2 40.50 1.10 2.2274 -2 -1 3 2 40.52 7.96 2.2260 -3 -2 2 2 40.75 16.06 2.2142 -3 2 0 2 40.92 6.01 2.2054 -2 -4 1 2 41.50 12.83 2.1761 2 1 2 2 41.91 4.44 2.1554 -2 0 3 2 42.16 1.35 2.1433 3 1 1 2 42.23 2.69 2.1399 2 3 1 2 42.40 1.84 2.1318 0 -3 3 2 42.71 5.44 2.1172 -3 1 2 2 42.82 5.32 2.1118 -2 -4 2 2 42.87 8.26 2.1096 0 3 2 2 43.39 1.58 2.0854 2 4 0 2 43.83 1.01 2.0654 3 -2 1 2 43.85 5.11 2.0646 1 0 3 2 44.07 1.72 2.0549 -2 -3 3 2 44.57 4.76 2.0331 2 -3 2 2 44.75 3.65 2.0252 -2 4 0 2 45.38 2.24 1.9986 -1 -5 1 2 45.71 1.51 1.9847 3 2 1 2 45.89 1.11 1.9775 2 2 2 2 46.18 5.10 1.9657 -3 3 0 2 46.37 2.24 1.9581 -1 -4 3 2 47.03 6.13 1.9323 -2 3 2 2 47.11 1.47 1.9291 -4 0 1 2 47.26 2.39 1.9233 -3 -2 3 2 47.44 2.62 1.9164 0 -5 2 2 47.62 1.31 1.9097 1 5 0 2 47.70 2.92 1.9065 -1 2 3 2 48.02 3.58 1.8946 -3 0 3 2 48.04 4.48 1.8940 -3 3 1 2 48.41 13.53 1.8802 -1 5 0 2 48.70 3.68 1.8696 4 1 0 2 49.12 1.50 1.8547 3 0 2 2 49.33 8.77 1.8473 -4 1 0 2 49.36 1.59 1.8464 -4 -1 2 2 49.74 2.05 1.8332 -3 -3 3 2 50.01 1.93 1.8239 2 -1 3 2 50.07 2.13 1.8218 -4 0 2 2 50.09 2.83 1.8211 -2 -5 2 2 50.12 13.76 1.8202 2 -4 2 2 50.42 1.61 1.8098 -2 2 3 2 50.51 1.82 1.8070 -4 -2 2 2 50.79 2.36 1.7976 -1 -2 4 2 50.91 4.62 1.7936 2 0 3 2 50.92 1.16 1.7933 3 3 1 2 51.14 5.14 1.7861 3 1 2 2 51.16 7.70 1.7855 3 4 0 2 51.19 1.11 1.7845 -3 1 3 2 51.51 4.94 1.7741 -1 4 2 2 51.66 8.76 1.7693 1 2 3 2 52.07 6.85 1.7564 0 -1 4 2 52.20 2.28 1.7524 0 -2 4 2 52.42 5.93 1.7455 -2 -2 4 2 52.50 3.09 1.7430 -1 0 4 2 52.58 1.50 1.7404 -4 1 2 2 52.71 2.08 1.7367 -1 -5 3 2 52.78 1.51 1.7343 4 0 1 2 52.96 7.61 1.7290 -3 4 0 2 53.33 1.87 1.7178 4 -1 1 2 53.43 2.26 1.7148 -4 -3 2 2 53.57 2.03 1.7107 -3 3 2 2 53.65 1.22 1.7084 1 4 2 2 53.66 3.16 1.7079 2 -3 3 2 53.90 7.53 1.7009 -3 -4 3 2 54.17 2.20 1.6932 -2 -3 4 2 54.24 1.22 1.6912 -2 0 4 2 54.27 2.31 1.6903 3 -4 1 2 54.32 1.62 1.6888 -1 3 3 2 55.54 1.88 1.6545 -3 -5 1 2 55.67 2.22 1.6511 -4 -2 3 2 55.81 7.72 1.6472 -1 -6 2 2 56.42 3.86 1.6309 0 6 0 2 56.74 1.25 1.6225 -4 2 2 2 57.07 3.25 1.6139 0 1 4 2 57.94 1.89 1.5916 -4 -4 2 2 57.98 2.57 1.5906 2 -4 3 2 58.49 3.76 1.5780 -3 -3 4 2 58.77 1.44 1.5712 3 5 0 2 58.96 1.89 1.5666 2 4 2 2 60.08 1.77 1.5400 0 5 2 2 60.10 1.43 1.5394 3 0 3 2 60.55 4.38 1.5291 4 -1 2 2 60.63 3.45 1.5272 4 0 2 2 61.01 1.85 1.5188 -5 -1 2 2 61.21 2.03 1.5143 5 0 0 2 61.39 2.76 1.5102 4 3 1 2 61.68 1.60 1.5038 5 1 0 2 61.69 2.58 1.5035 -5 0 2 2 61.91 3.00 1.4989 0 2 4 2 61.94 1.25 1.4981 -5 -2 2 2 62.00 2.56 1.4967 -2 -6 3 2 62.12 7.20 1.4942 -3 1 4 2 63.68 1.70 1.4614 -2 5 2 2 63.82 2.34 1.4585 -3 -6 1 2 63.84 1.38 1.4581 -4 -2 4 2 63.97 1.37 1.4554 -5 1 2 2 64.53 2.46 1.4440 -4 4 1 2 64.64 1.23 1.4420 0 -7 1 2 65.26 1.01 1.4297 -4 -3 4 2 65.55 1.91 1.4241 0 -7 2 2 65.58 3.51 1.4236 4 2 2 2 66.34 1.79 1.4090 -3 -5 4 2 66.55 1.62 1.4051 -2 6 1 2 66.60 1.40 1.4042 3 4 2 2 66.73 1.46 1.4017 1 -5 4 2 67.23 1.39 1.3926 2 1 4 2 67.46 1.16 1.3883 -2 -7 2 2 67.60 2.69 1.3858 -1 -6 4 2 68.46 1.64 1.3705 -5 -4 2 2 68.47 2.55 1.3704 1 -7 2 2 68.67 1.04 1.3669 -1 7 0 2 68.78 1.50 1.3648 0 0 5 2 69.16 1.71 1.3583 -4 4 2 2 69.61 3.19 1.3507 0 -7 3 2 69.63 2.51 1.3504 -4 3 3 2 70.33 1.33 1.3385 -1 6 2 2 70.43 1.00 1.3369 4 -1 3 2 70.69 2.28 1.3326 -1 1 5 2 70.93 2.08 1.3288 0 5 3 2 70.96 2.93 1.3282 -4 -6 2 2 71.14 1.44 1.3253 2 7 0 2 71.19 1.14 1.3245 -5 -4 3 2 71.32 1.28 1.3224 4 -2 3 2 72.03 1.29 1.3111 -3 -4 5 2 72.05 1.57 1.3108 5 -3 1 2 72.15 1.56 1.3092 3 -2 4 2 72.19 1.15 1.3085 3 -5 3 2 72.23 1.01 1.3080 -4 5 1 2 72.33 1.57 1.3065 5 4 0 2 72.89 3.10 1.2978 -5 -2 4 2 72.91 1.17 1.2974 1 0 5 2 72.96 1.16 1.2966 1 -6 4 2 73.12 1.54 1.2942 -2 5 3 2 73.45 1.62 1.2892 5 0 2 2 73.60 1.13 1.2870 -4 2 4 2 73.70 1.24 1.2855 4 -3 3 2 73.93 2.21 1.2821 3 -3 4 2 74.69 2.93 1.2708 -1 4 4 2 74.79 1.79 1.2694 -5 4 0 2 74.94 2.07 1.2672 5 1 2 2 75.33 1.12 1.2617 -4 -3 5 2 75.41 2.00 1.2605 -1 -8 2 2 75.64 1.03 1.2572 -1 2 5 2 76.28 2.40 1.2483 4 4 2 2 76.59 2.94 1.2440 0 -7 4 2 77.82 1.99 1.2273 5 -3 2 2 79.24 1.38 1.2090 -4 -7 2 2 79.40 2.21 1.2069 -5 4 2 2 79.81 1.13 1.2017 3 2 4 2 80.05 4.49 1.1987 -2 -2 6 2 80.31 1.68 1.1955 -1 -3 6 2 80.85 1.44 1.1889 -1 -1 6 2 81.63 1.13 1.1794 -5 5 0 2 82.36 1.04 1.1708 1 7 2 2 82.80 1.10 1.1657 4 -6 2 2 82.92 1.71 1.1644 -6 3 0 2 84.05 1.28 1.1516 0 5 4 2 84.17 1.79 1.1503 -6 -1 4 2 86.58 1.19 1.1243 -5 -6 4 2 87.17 2.05 1.1182 -5 5 2 2 87.68 1.48 1.1130 -6 -4 4 2 87.77 1.43 1.1121 3 -6 4 2 88.65 1.14 1.1034 2 8 1 2 88.77 1.20 1.1022 -4 -1 6 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.