Monetite Catti M, Ferraris G, Filhol A Acta Crystallographica B33 (1977) 1223-1229 Hydrogen bonding in the crystalline state. CaHPO4 (monetite), P-1 or P1? A novel neutron diffraction study Locality: Synthetic _database_code_amcsd 0009584 CELL PARAMETERS: 6.9100 6.6270 6.9980 96.340 103.820 88.330 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 309.275 Density (g/cm3): 2.922 MAX. ABS. INTENSITY / VOLUME**2: 6.291019013 RIR: 0.701 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.10 19.04 6.7567 0 0 1 2 16.26 1.79 5.4513 -1 0 1 2 17.78 5.61 4.9897 0 -1 1 2 19.80 1.91 4.4835 0 1 1 2 20.21 4.21 4.3945 -1 -1 1 2 20.75 5.49 4.2804 1 0 1 2 22.07 4.99 4.0284 -1 1 1 2 24.04 2.33 3.7019 1 -1 1 2 25.55 14.23 3.4860 1 1 1 2 26.38 100.00 3.3783 0 0 2 2 26.57 86.59 3.3550 2 0 0 2 26.58 9.59 3.3539 -1 0 2 2 26.72 33.76 3.3367 -2 0 1 2 27.08 10.11 3.2932 0 2 0 2 28.54 27.78 3.1274 -1 -1 2 2 28.87 4.92 3.0930 0 -2 1 2 29.85 1.30 2.9929 2 1 0 2 29.92 1.76 2.9860 -2 1 0 2 30.20 62.23 2.9597 1 2 0 2 30.27 74.76 2.9530 -1 2 0 2 30.45 46.41 2.9359 -1 -2 1 2 30.70 4.59 2.9121 -2 1 1 2 31.01 8.22 2.8837 0 1 2 2 31.20 3.54 2.8670 -1 1 2 2 31.46 1.70 2.8434 0 2 1 2 32.37 18.88 2.7655 1 0 2 2 32.49 33.09 2.7558 2 0 1 2 32.86 49.95 2.7257 -2 0 2 2 33.00 10.98 2.7147 -1 2 1 2 34.77 1.85 2.5803 2 -1 1 2 35.47 4.41 2.5310 1 2 1 2 35.84 2.41 2.5058 2 1 1 2 36.00 25.06 2.4949 0 -2 2 2 36.12 3.46 2.4869 -1 -2 2 2 36.30 1.15 2.4749 1 1 2 2 36.78 1.13 2.4434 -2 1 2 2 37.28 1.23 2.4117 -2 -2 1 2 38.24 1.26 2.3536 2 2 0 2 38.35 2.36 2.3468 -2 2 0 2 39.05 10.52 2.3066 -1 0 3 2 39.32 1.66 2.2917 -3 0 1 2 39.50 1.07 2.2814 -2 2 1 2 39.97 3.28 2.2558 -1 -1 3 2 40.03 20.55 2.2522 0 0 3 2 40.23 6.43 2.2418 0 2 2 2 40.32 1.57 2.2366 3 0 0 2 40.39 13.21 2.2331 -1 2 2 2 40.76 6.59 2.2137 1 -2 2 2 40.94 8.18 2.2042 0 -1 3 2 41.08 1.46 2.1972 -2 -2 2 2 41.11 10.63 2.1955 0 3 0 2 41.20 3.24 2.1912 -3 -1 1 2 41.87 2.37 2.1576 2 -2 1 2 41.89 14.16 2.1567 0 -3 1 2 42.26 8.48 2.1386 -3 1 1 2 42.65 7.29 2.1197 3 1 0 2 42.73 2.43 2.1160 -3 1 0 2 42.95 1.57 2.1058 -1 1 3 2 43.03 2.40 2.1019 -1 -3 1 2 43.33 6.21 2.0884 1 3 0 2 43.40 1.84 2.0849 -1 3 0 2 43.69 4.32 2.0719 2 2 1 2 44.56 8.28 2.0334 1 2 2 2 45.16 1.23 2.0078 1 -3 1 2 45.41 6.56 1.9972 2 1 2 2 45.42 1.65 1.9970 1 0 3 2 45.65 6.92 1.9873 3 0 1 2 46.35 1.28 1.9589 0 -2 3 2 46.38 1.98 1.9578 -2 1 3 2 46.97 1.86 1.9344 -1 -3 2 2 47.44 24.54 1.9165 -3 -2 1 2 48.21 1.86 1.8876 3 1 1 2 48.71 8.43 1.8694 -2 -2 3 2 49.18 1.10 1.8527 3 2 0 2 49.23 9.45 1.8510 2 -2 2 2 49.32 23.95 1.8478 -3 2 0 2 49.69 2.13 1.8350 -3 -2 2 2 50.76 9.67 1.7985 -1 2 3 2 50.94 6.05 1.7927 -3 -1 3 2 51.23 3.82 1.7833 1 -2 3 2 51.54 1.81 1.7731 0 2 3 2 52.04 1.13 1.7573 0 3 2 2 52.19 6.70 1.7528 -1 3 2 2 52.64 3.99 1.7386 -1 0 4 2 52.97 6.63 1.7288 -1 -1 4 2 53.04 9.05 1.7267 -4 0 1 2 53.14 9.11 1.7236 3 -2 1 2 53.16 20.40 1.7229 -3 2 2 2 53.48 1.03 1.7133 -3 1 3 2 53.82 2.16 1.7033 -2 2 3 2 54.17 8.12 1.6933 2 0 3 2 54.31 1.07 1.6892 0 0 4 2 54.50 6.99 1.6837 2 3 1 2 54.62 7.22 1.6803 3 2 1 2 54.74 2.75 1.6769 -2 0 4 2 54.91 1.33 1.6720 2 -1 3 2 55.04 6.09 1.6683 -4 0 2 2 55.23 5.04 1.6632 0 -3 3 2 55.45 1.32 1.6571 3 -1 2 2 55.56 6.92 1.6540 -3 -2 3 2 55.65 2.58 1.6517 1 3 2 2 55.83 1.51 1.6466 0 4 0 2 56.05 6.71 1.6408 1 2 3 2 56.06 3.10 1.6405 0 -4 1 2 56.19 1.56 1.6370 -1 1 4 2 56.98 1.72 1.6163 -1 -4 1 2 57.11 2.41 1.6128 -1 -2 4 2 57.23 5.22 1.6097 2 1 3 2 57.30 3.60 1.6080 -2 -3 3 2 57.78 2.69 1.5958 0 1 4 2 58.19 1.83 1.5855 2 -3 2 2 58.54 1.34 1.5766 -3 -3 2 2 58.71 7.55 1.5726 0 -2 4 2 59.08 2.78 1.5637 -2 -2 4 2 59.15 2.29 1.5619 0 4 1 2 59.38 2.38 1.5565 2 -2 3 2 59.86 1.08 1.5451 -1 -4 2 2 59.88 5.85 1.5446 4 0 1 2 60.12 1.85 1.5391 -1 4 1 2 60.27 3.07 1.5355 3 -2 2 2 60.33 2.52 1.5343 -3 0 4 2 60.49 1.93 1.5304 -4 0 3 2 61.39 6.15 1.5102 -2 -4 1 2 62.11 2.92 1.4945 0 3 3 2 62.95 2.59 1.4765 -2 4 0 2 63.18 4.11 1.4716 1 -4 2 2 64.10 2.30 1.4527 3 3 1 2 64.41 2.08 1.4465 -3 -2 4 2 64.60 2.76 1.4428 -1 -3 4 2 65.97 1.72 1.4159 -1 -4 3 2 66.09 1.41 1.4138 3 -1 3 2 66.10 1.56 1.4136 0 -3 4 2 66.14 1.89 1.4129 1 3 3 2 66.27 1.01 1.4103 4 -2 1 2 67.45 2.66 1.3886 2 4 1 2 68.82 1.03 1.3641 1 4 2 2 68.90 2.07 1.3628 -4 0 4 2 68.91 6.61 1.3627 -3 -4 1 2 69.22 5.86 1.3573 -2 4 2 2 69.36 1.23 1.3548 1 2 4 2 70.14 1.21 1.3418 3 -2 3 2 70.18 2.04 1.3410 -3 2 4 2 70.65 1.06 1.3332 1 -4 3 2 71.21 3.55 1.3242 -3 4 0 2 71.59 3.08 1.3181 -2 -2 5 2 71.99 1.78 1.3118 -4 1 4 2 72.95 2.76 1.2968 0 1 5 2 73.01 1.20 1.2959 -5 0 3 2 73.12 1.02 1.2942 -4 3 2 2 73.23 1.12 1.2925 2 3 3 2 73.39 2.05 1.2902 4 -2 2 2 73.77 1.18 1.2844 -5 -2 1 2 74.14 3.11 1.2789 3 2 3 2 74.23 4.17 1.2776 -3 -4 3 2 74.92 1.61 1.2675 -1 -4 4 2 74.99 2.84 1.2665 0 4 3 2 75.06 1.48 1.2655 2 4 2 2 75.31 2.01 1.2620 -5 2 1 2 75.42 1.37 1.2604 5 0 1 2 76.59 1.21 1.2440 5 2 0 2 76.92 2.62 1.2395 -5 2 2 2 77.39 1.49 1.2331 -5 -2 3 2 77.41 1.22 1.2329 -1 2 5 2 77.67 1.94 1.2293 -2 -5 2 2 77.82 1.30 1.2274 2 5 0 2 78.51 1.78 1.2183 2 -3 4 2 79.11 5.42 1.2106 3 -4 2 2 79.15 1.68 1.2100 -4 -4 1 2 79.31 1.03 1.2080 2 -5 1 2 79.70 1.73 1.2031 -3 3 4 2 80.83 1.73 1.1891 1 -4 4 2 81.26 2.16 1.1839 5 -2 1 2 81.37 1.78 1.1826 -5 -3 2 2 81.43 1.17 1.1818 -5 -3 1 2 81.55 2.37 1.1804 -5 2 3 2 82.40 1.39 1.1704 5 2 1 2 82.88 1.45 1.1649 -4 -2 5 2 83.13 1.03 1.1620 3 3 3 2 83.23 4.05 1.1608 -1 -1 6 2 84.37 3.90 1.1481 -6 0 1 2 85.04 2.97 1.1407 -4 4 2 2 85.41 1.02 1.1366 2 4 3 2 86.22 1.62 1.1280 2 -2 5 2 86.23 1.15 1.1279 -2 -2 6 2 86.36 3.55 1.1266 2 1 5 2 86.78 1.28 1.1222 -3 -1 6 2 87.00 1.98 1.1200 -1 3 5 2 87.19 1.00 1.1180 -3 0 6 2 87.45 1.91 1.1153 -2 1 6 2 87.52 1.65 1.1146 -4 3 4 2 87.76 4.34 1.1122 -6 0 3 2 88.75 2.09 1.1023 0 -6 1 2 89.50 1.51 1.0950 -1 -6 1 2 89.69 1.46 1.0932 -1 5 3 2 89.94 1.75 1.0909 0 1 6 2 90.00 1.28 1.0903 -5 0 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.