Ca H2 O12 P4 Averbuch-Pouchot M Zeitschrift fur Anorganische und Allgemeine Chemie 621 (1995) 506-509 Preparation and crystal structure of an acidic long-chain polyphosphate: Ca H2 (P O3)4 _cod_database_code 1008730 _database_code_amcsd 0016611 CELL PARAMETERS: 5.6860 9.6760 8.8440 90.000 92.350 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 486.168 Density (g/cm3): 2.445 MAX. ABS. INTENSITY / VOLUME**2: 7.365558311 RIR: 0.981 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.57 10.04 6.5250 0 1 1 4 15.60 22.13 5.6812 1 0 0 2 18.11 11.10 4.8992 1 1 0 4 18.34 93.43 4.8380 0 2 0 2 20.10 6.98 4.4183 0 0 2 2 20.41 89.36 4.3504 -1 1 1 4 20.93 2.49 4.2436 0 2 1 4 21.04 2.49 4.2219 1 1 1 4 22.12 1.83 4.0191 0 1 2 4 24.16 92.53 3.6834 1 2 0 4 25.02 33.58 3.5592 -1 0 2 2 25.96 3.14 3.4324 -1 2 1 4 26.05 31.94 3.4204 1 0 2 2 26.69 37.18 3.3403 -1 1 2 4 27.34 4.53 3.2625 0 2 2 4 27.66 100.00 3.2249 1 1 2 4 29.48 28.89 3.0298 0 3 1 4 31.20 39.57 2.8669 -1 2 2 4 31.76 12.11 2.8178 0 1 3 4 31.91 4.49 2.8048 1 3 0 4 32.05 1.32 2.7929 1 2 2 4 32.86 6.15 2.7256 2 1 0 4 33.32 3.62 2.6891 -1 3 1 4 34.04 5.36 2.6339 -2 1 1 4 34.43 2.04 2.6051 0 3 2 4 35.69 5.07 2.5159 0 2 3 4 36.13 3.20 2.4859 1 1 3 4 36.69 4.19 2.4496 2 2 0 4 36.91 7.46 2.4352 -2 0 2 2 37.64 2.21 2.3900 -1 3 2 4 37.76 11.41 2.3823 -2 2 1 4 38.11 9.35 2.3616 -2 1 2 4 38.36 8.08 2.3466 1 3 2 4 38.37 6.75 2.3460 2 0 2 2 38.48 1.38 2.3394 2 2 1 4 38.59 1.28 2.3332 0 4 1 4 38.63 3.15 2.3309 -1 2 3 4 39.53 11.08 2.2800 2 1 2 4 39.69 7.49 2.2712 1 2 3 4 41.95 8.40 2.1537 0 1 4 4 43.36 6.56 2.0870 -2 3 1 4 44.00 3.73 2.0579 2 3 1 4 44.13 8.88 2.0521 -1 3 3 4 44.38 1.13 2.0411 -1 1 4 4 44.61 3.43 2.0310 1 0 4 2 45.08 3.76 2.0110 1 3 3 4 45.12 3.54 2.0096 0 2 4 4 45.33 1.46 2.0007 -1 4 2 4 45.95 2.54 1.9750 1 4 2 4 46.26 1.20 1.9624 2 1 3 4 47.42 2.07 1.9171 -1 2 4 4 47.42 9.54 1.9170 -2 2 3 4 47.95 15.41 1.8972 2 3 2 4 48.62 2.37 1.8727 1 2 4 4 49.01 1.86 1.8585 3 1 0 4 49.49 1.17 1.8417 2 4 0 4 49.72 1.06 1.8336 -3 1 1 4 49.78 1.13 1.8318 1 5 0 4 50.05 3.60 1.8226 0 3 4 4 50.59 6.41 1.8041 3 1 1 4 50.77 9.19 1.7984 -1 5 1 4 51.03 2.07 1.7896 -1 4 3 4 51.05 7.62 1.7890 1 5 1 4 51.73 1.23 1.7670 -3 0 2 2 51.89 1.69 1.7622 1 4 3 4 52.19 3.27 1.7527 -2 3 3 4 52.27 4.60 1.7502 -2 1 4 4 52.65 2.46 1.7386 0 1 5 4 53.30 2.06 1.7187 1 3 4 4 53.38 6.22 1.7162 -2 4 2 4 53.86 1.09 1.7022 2 3 3 4 54.48 1.65 1.6843 1 5 2 4 54.49 2.91 1.6841 2 1 4 4 54.58 1.23 1.6815 -1 1 5 4 55.34 1.33 1.6600 0 2 5 4 55.35 1.75 1.6598 -3 2 2 4 56.34 1.49 1.6331 3 3 0 4 56.41 1.49 1.6313 0 4 4 4 56.93 1.95 1.6174 0 5 3 4 56.96 1.40 1.6167 3 2 2 4 56.98 1.92 1.6161 -3 3 1 4 57.12 4.58 1.6124 2 2 4 4 57.21 1.65 1.6102 -1 2 5 4 57.57 2.42 1.6011 -3 1 3 4 58.38 2.12 1.5806 -1 4 4 4 58.38 3.35 1.5806 -2 4 3 4 58.53 1.51 1.5771 1 2 5 4 58.92 3.71 1.5674 2 5 1 4 59.66 1.09 1.5499 0 3 5 4 61.18 1.20 1.5149 0 6 2 4 61.36 1.89 1.5109 2 3 4 4 62.18 1.57 1.4928 2 5 2 4 62.26 4.10 1.4911 3 4 0 4 62.70 1.47 1.4818 1 3 5 4 63.31 1.04 1.4689 -1 6 2 4 63.62 2.43 1.4626 3 4 1 4 64.18 5.94 1.4512 -3 1 4 4 65.07 1.45 1.4335 -2 4 4 4 65.54 1.93 1.4244 -1 1 6 4 65.80 1.27 1.4194 -1 5 4 4 66.05 2.25 1.4145 0 6 3 4 66.20 1.34 1.4116 1 0 6 2 66.32 5.91 1.4095 3 0 4 2 66.58 2.65 1.4046 -3 2 4 4 66.69 1.69 1.4024 2 6 0 4 67.10 2.72 1.3950 -1 4 5 4 67.25 1.05 1.3921 2 5 3 4 67.88 3.57 1.3808 2 6 1 4 67.91 2.04 1.3802 -1 2 6 4 68.30 1.59 1.3733 1 4 5 4 68.70 4.61 1.3663 1 6 3 4 68.73 1.93 1.3657 0 7 1 4 68.90 1.21 1.3628 4 2 0 4 69.36 2.40 1.3549 -4 2 1 4 69.44 1.11 1.3535 3 5 0 4 69.46 3.16 1.3532 3 2 4 4 70.02 1.21 1.3438 -3 5 1 4 70.85 2.52 1.3300 -2 0 6 2 70.86 1.73 1.3298 -1 7 1 4 71.24 1.32 1.3237 4 1 2 4 71.62 2.81 1.3176 -2 1 6 4 71.66 2.66 1.3169 -4 2 2 4 72.42 1.02 1.3050 0 5 5 4 73.53 1.14 1.2881 4 2 2 4 73.66 1.02 1.2861 2 0 6 2 74.13 1.14 1.2791 4 3 1 4 74.32 1.56 1.2763 -2 6 3 4 76.61 1.73 1.2438 -3 5 3 4 76.67 2.84 1.2429 2 2 6 4 77.66 1.89 1.2295 -2 3 6 4 78.44 1.66 1.2192 1 4 6 4 78.45 1.35 1.2191 -4 4 1 4 78.55 1.44 1.2178 3 4 4 4 78.56 1.52 1.2176 -4 0 4 2 79.02 1.09 1.2117 3 6 1 4 81.69 1.80 1.1788 3 3 5 4 82.22 3.81 1.1725 2 5 5 4 82.23 1.66 1.1724 -1 6 5 4 82.73 1.21 1.1666 0 8 2 4 83.96 2.56 1.1526 -2 7 3 4 85.07 2.45 1.1403 -4 5 1 4 87.11 2.02 1.1188 0 8 3 4 87.88 3.46 1.1110 -3 7 1 4 88.56 1.34 1.1042 -5 1 2 4 88.79 1.90 1.1019 2 8 1 4 89.55 1.77 1.0945 1 8 3 4 89.74 1.33 1.0927 -1 0 8 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.