Anapaite Catti M, Ferraris G, Ivaldi G Bulletin de Mineralogie 102 (1979) 314-318 Refinement of the crystal structure of anapaite, Ca2Fe(PO4)2*4H2O: hydrogen bonding and relationships with the bihydrated phase _database_code_amcsd 0012067 CELL PARAMETERS: 6.4470 6.8160 5.8980 101.640 104.240 70.760 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 235.108 Density (g/cm3): 2.811 MAX. ABS. INTENSITY / VOLUME**2: 5.942124687 RIR: 0.688 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.88 52.33 6.3791 0 1 0 2 14.84 30.78 5.9711 1 0 0 2 15.64 23.61 5.6668 0 0 1 2 17.09 10.78 5.1889 1 1 0 2 19.39 2.91 4.5780 -1 0 1 2 19.53 36.41 4.5447 0 -1 1 2 19.75 7.56 4.4942 -1 -1 1 2 22.32 2.98 3.9837 0 1 1 2 23.21 28.99 3.8320 -1 1 0 2 23.65 73.23 3.7620 1 0 1 2 26.29 48.05 3.3893 1 1 1 2 27.50 20.71 3.2433 -1 1 1 2 27.55 24.90 3.2379 1 2 0 2 27.97 43.02 3.1895 0 2 0 2 28.29 89.87 3.1551 -1 -2 1 2 29.04 9.60 3.0744 2 1 0 2 29.17 25.95 3.0614 -2 -1 1 2 29.93 6.02 2.9856 2 0 0 2 31.03 100.00 2.8822 -2 0 1 2 31.58 18.66 2.8334 0 0 2 2 32.23 37.23 2.7771 -1 0 2 2 32.85 25.52 2.7263 0 -1 2 2 33.80 11.50 2.6522 -2 -2 1 2 34.02 36.18 2.6349 0 2 1 2 34.57 1.21 2.5944 2 2 0 2 35.05 1.31 2.5600 1 2 1 2 35.61 8.52 2.5213 -1 2 0 2 36.35 5.07 2.4714 0 1 2 2 36.64 29.21 2.4524 2 0 1 2 36.81 8.88 2.4418 -2 1 0 2 36.82 23.74 2.4411 -1 -2 2 2 39.36 6.36 2.2890 -2 0 2 2 39.66 31.63 2.2723 0 -2 2 2 40.26 25.62 2.2403 1 1 2 2 40.39 2.85 2.2330 -1 -3 1 2 40.44 2.12 2.2304 1 -1 2 2 40.63 15.92 2.2207 1 3 0 2 41.84 2.87 2.1591 2 -1 1 2 42.12 15.59 2.1455 2 2 1 2 43.08 3.11 2.0999 -2 -3 1 2 43.44 19.53 2.0833 0 -3 1 2 43.45 10.49 2.0826 3 1 0 2 44.43 1.96 2.0392 2 3 0 2 45.26 1.35 2.0034 -3 0 1 2 45.54 29.54 1.9919 0 2 2 2 45.58 28.37 1.9904 3 0 0 2 46.35 5.71 1.9589 -1 -3 2 2 46.39 10.78 1.9575 -2 1 2 2 46.98 2.02 1.9343 1 3 1 2 47.38 7.75 1.9185 -3 -1 2 2 47.42 6.44 1.9171 1 2 2 2 47.59 5.60 1.9108 -1 0 3 2 47.62 1.68 1.9097 0 3 1 2 47.72 3.66 1.9057 -2 -3 2 2 48.17 10.47 1.8889 0 0 3 2 48.39 6.27 1.8810 2 0 2 2 48.42 10.45 1.8800 0 -1 3 2 48.55 11.67 1.8752 -3 -2 2 2 48.89 2.41 1.8630 -1 2 2 2 49.52 2.40 1.8405 -2 2 1 2 49.54 1.54 1.8401 -2 -1 3 2 49.73 3.09 1.8336 -1 -2 3 2 50.26 11.04 1.8154 3 1 1 2 50.76 8.35 1.7987 -3 -3 1 2 51.00 24.28 1.7906 2 -2 1 2 51.38 17.99 1.7784 -2 -2 3 2 51.40 19.66 1.7776 2 3 1 2 51.53 4.03 1.7734 3 0 1 2 52.02 4.61 1.7579 -2 0 3 2 52.35 8.79 1.7475 -3 1 1 2 52.94 1.42 1.7296 3 3 0 2 52.98 3.86 1.7283 0 -2 3 2 53.19 4.45 1.7220 -1 3 1 2 53.26 1.52 1.7201 3 2 1 2 53.95 4.26 1.6995 -3 -3 2 2 55.05 4.77 1.6683 1 4 0 2 55.15 14.39 1.6654 -2 -4 1 2 55.18 4.83 1.6646 1 -1 3 2 56.77 16.66 1.6216 -2 2 2 2 56.87 1.21 1.6190 2 4 0 2 56.99 7.89 1.6160 -1 -3 3 2 57.21 2.48 1.6103 -3 -1 3 2 57.51 2.73 1.6026 -4 -1 1 2 57.52 2.07 1.6023 0 3 2 2 57.82 3.67 1.5948 0 4 0 2 57.86 1.57 1.5936 -3 1 2 2 57.87 1.00 1.5934 -4 -2 1 2 57.97 1.97 1.5908 0 -4 1 2 58.31 8.26 1.5824 1 -3 2 2 58.45 3.20 1.5791 -2 1 3 2 58.51 4.50 1.5775 -2 -4 2 2 59.27 1.87 1.5591 4 1 0 2 59.45 4.84 1.5548 2 -2 2 2 60.20 4.55 1.5372 4 2 0 2 60.44 3.41 1.5317 -2 3 0 2 60.69 4.60 1.5260 -3 0 3 2 60.70 1.72 1.5257 -4 -1 2 2 60.82 6.71 1.5230 1 4 1 2 61.04 3.26 1.5179 -4 0 1 2 62.05 1.69 1.4958 -1 2 3 2 62.09 1.33 1.4949 -4 -3 1 2 62.58 2.03 1.4844 1 2 3 2 62.66 7.29 1.4826 -3 2 1 2 62.83 3.32 1.4789 -3 -4 2 2 63.00 1.25 1.4754 0 -4 2 2 63.04 2.03 1.4747 3 4 0 2 63.07 5.95 1.4739 -1 -1 4 2 63.15 2.08 1.4724 2 0 3 2 64.32 1.56 1.4482 2 1 3 2 64.60 2.29 1.4427 3 2 2 2 64.68 4.57 1.4411 -4 0 2 2 64.88 8.36 1.4372 4 3 0 2 65.27 2.03 1.4295 -1 -2 4 2 65.75 1.46 1.4203 4 1 1 2 65.93 4.03 1.4167 0 0 4 2 66.23 2.52 1.4111 3 -1 2 2 66.47 1.07 1.4067 -2 -4 3 2 67.17 4.05 1.3937 4 2 1 2 67.37 5.54 1.3900 -1 -4 3 2 67.45 4.04 1.3886 -2 0 4 2 68.11 2.68 1.3767 -2 2 3 2 68.67 2.98 1.3669 -4 1 0 2 68.88 1.18 1.3632 0 -2 4 2 69.27 1.33 1.3565 -2 -5 1 2 69.69 1.43 1.3493 -3 -4 3 2 69.89 3.18 1.3459 0 1 4 2 70.54 2.01 1.3350 -4 -3 3 2 70.61 1.80 1.3340 -3 -1 4 2 70.83 1.03 1.3304 1 5 0 2 71.09 3.15 1.3261 -4 -4 2 2 71.29 5.01 1.3229 3 3 2 2 71.35 4.11 1.3219 1 -4 2 2 71.63 1.76 1.3175 0 4 2 2 71.72 1.39 1.3160 -2 -5 2 2 72.12 2.10 1.3096 1 -1 4 2 72.13 6.04 1.3095 1 3 3 2 74.25 2.39 1.2772 -3 0 4 2 74.35 1.37 1.2758 0 5 0 2 74.56 1.18 1.2728 -3 -5 2 2 75.40 2.85 1.2607 -2 4 0 2 75.58 1.26 1.2580 0 -3 4 2 75.78 2.14 1.2553 3 5 0 2 75.87 1.76 1.2540 3 0 3 2 76.32 4.49 1.2477 4 1 2 2 76.37 2.36 1.2470 1 -2 4 2 76.38 2.53 1.2469 -1 4 2 2 76.44 1.38 1.2460 1 5 1 2 76.74 5.03 1.2419 5 1 0 2 77.32 5.85 1.2341 3 -3 1 2 78.02 3.53 1.2248 -2 4 1 2 78.30 1.32 1.2210 -4 2 1 2 78.31 1.22 1.2209 -4 2 0 2 78.91 2.70 1.2131 -4 -2 4 2 79.30 6.29 1.2082 3 -1 3 2 80.58 2.73 1.1921 -3 -4 4 2 80.96 2.39 1.1876 -5 -2 3 2 81.00 3.14 1.1871 2 -3 3 2 81.11 2.41 1.1857 -4 -3 4 2 81.25 1.63 1.1840 -4 -5 2 2 82.35 3.29 1.1709 -5 -4 1 2 82.58 1.73 1.1683 -5 -3 3 2 83.04 1.10 1.1630 -2 -2 5 2 83.33 1.63 1.1597 -1 -2 5 2 83.92 1.01 1.1530 1 -3 4 2 84.52 2.33 1.1463 0 4 3 2 85.46 1.65 1.1362 0 -4 4 2 85.55 3.55 1.1352 -2 0 5 2 86.59 2.61 1.1242 -3 -2 5 2 87.22 1.22 1.1177 -3 -1 5 2 87.22 3.04 1.1177 5 3 1 2 88.22 2.58 1.1076 2 5 2 2 88.43 1.23 1.1055 2 4 3 2 89.07 3.26 1.0992 -5 1 2 2 89.38 1.32 1.0962 -2 -5 4 2 89.61 1.58 1.0940 -1 3 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.