Johnbaumite Biagioni C, Pasero M American Mineralogist 98 (2013) 1580-1584 The crystal structure of johnbaumite, Ca5(AsO4)3OH, the arsenate analogue of hydroxylapatite Locality: Harstigen mine, Varmland, Sweden _database_code_amcsd 0020732 CELL PARAMETERS: 9.7199 9.7221 6.9651 90.077 90.051 119.944 SPACE GROUP: P6_3/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 570.327 Density (g/cm3): 3.633 MAX. ABS. INTENSITY / VOLUME**2: 11.96902086 RIR: 1.073 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.50 16.10 8.4243 0 1 0 6 10.50 16.09 8.4224 1 0 0 6 10.51 16.07 8.4163 -1 1 0 6 16.50 2.10 5.3734 0 -1 1 12 16.50 2.10 5.3722 -1 0 1 12 16.52 2.09 5.3666 1 -1 1 12 16.52 2.09 5.3652 -1 1 1 12 16.53 4.17 5.3625 1 0 1 12 18.24 10.37 4.8646 1 1 0 6 18.25 10.35 4.8610 -1 2 0 6 18.25 10.35 4.8599 -2 1 0 6 22.27 19.10 3.9924 -1 -1 1 12 22.29 19.06 3.9887 1 -2 1 12 22.30 19.04 3.9873 -2 1 1 12 22.32 56.99 3.9837 1 1 1 12 24.68 1.61 3.6076 0 -2 1 12 24.68 1.61 3.6066 -2 0 1 12 24.72 1.60 3.6022 2 -2 1 12 24.72 3.21 3.6014 0 2 1 12 24.72 1.60 3.6008 2 0 1 12 25.58 100.00 3.4825 0 0 2 2 28.02 9.39 3.1843 2 1 0 6 28.03 9.38 3.1830 -1 3 0 6 28.05 9.36 3.1812 -3 2 0 6 30.85 10.77 2.8987 -1 -2 1 12 30.85 27.76 2.8984 -2 -1 1 12 30.87 27.72 2.8968 1 -3 1 12 30.88 10.74 2.8958 -3 1 1 12 30.89 10.73 2.8951 2 -3 1 12 30.90 55.29 2.8942 2 1 1 12 30.90 10.72 2.8938 1 2 1 12 30.91 55.24 2.8932 -1 3 1 12 30.91 21.41 2.8930 3 -1 1 12 31.56 16.25 2.8347 -1 -1 2 12 31.58 16.22 2.8328 1 -2 2 12 31.59 16.20 2.8320 -2 1 2 12 31.62 48.48 2.8292 1 1 2 12 31.87 41.62 2.8081 0 3 0 6 31.88 41.59 2.8075 3 0 0 6 31.90 41.50 2.8054 -3 3 0 6 33.35 10.63 2.6867 0 -2 2 12 33.36 10.63 2.6861 -2 0 2 12 33.39 10.59 2.6833 2 -2 2 12 33.40 10.58 2.6826 -2 2 2 12 33.42 21.13 2.6813 2 0 2 12 34.41 1.30 2.6063 0 -3 1 12 34.42 1.30 2.6055 -3 0 1 12 34.46 1.29 2.6025 0 3 1 12 34.47 3.88 2.6020 3 0 1 12 38.53 2.23 2.3368 1 3 0 6 38.53 4.54 2.3365 3 1 0 6 38.54 4.54 2.3359 -1 4 0 6 38.55 2.23 2.3353 -4 1 0 6 38.56 2.22 2.3345 -3 4 0 6 38.57 4.53 2.3343 -4 3 0 6 39.20 3.70 2.2979 -2 -2 1 12 39.24 3.69 2.2958 2 -4 1 12 39.26 7.37 2.2950 2 2 1 12 39.28 7.36 2.2939 4 -2 1 12 40.70 5.96 2.2170 -1 -3 1 12 40.73 5.94 2.2151 -4 1 1 12 40.75 11.87 2.2140 1 3 1 12 40.77 11.85 2.2130 4 -1 1 12 41.34 1.70 2.1838 3 0 2 12 43.17 1.08 2.0956 1 -2 3 12 43.21 1.62 2.0939 1 1 3 12 44.94 1.13 2.0171 0 -4 1 12 44.95 1.13 2.0165 -4 0 1 12 44.99 1.13 2.0148 0 4 1 12 45.01 3.39 2.0140 4 0 1 12 45.44 8.65 1.9962 -2 -2 2 12 45.48 8.62 1.9944 2 -4 2 12 45.50 8.61 1.9936 -4 2 2 12 45.54 25.75 1.9919 2 2 2 12 47.01 1.15 1.9330 2 3 0 6 47.01 2.99 1.9329 3 2 0 6 47.04 2.98 1.9318 -2 5 0 6 47.05 2.29 1.9314 -3 5 0 6 47.06 2.98 1.9310 -5 3 0 6 48.47 3.36 1.8781 -1 -2 3 12 48.47 8.54 1.8779 -2 -1 3 12 48.49 8.53 1.8772 1 -3 3 12 48.51 6.71 1.8767 2 -3 3 12 48.53 8.50 1.8758 -3 2 3 12 48.56 8.49 1.8749 3 -2 3 12 48.57 6.68 1.8746 3 -1 3 12 48.58 16.96 1.8743 2 1 3 12 48.58 3.34 1.8741 1 2 3 12 48.87 2.78 1.8637 -2 -3 1 12 48.87 1.41 1.8636 -3 -2 1 12 48.91 1.41 1.8623 2 -5 1 12 48.93 8.30 1.8617 2 3 1 12 48.94 4.22 1.8611 3 2 1 12 48.96 5.52 1.8606 5 -2 1 12 48.96 1.40 1.8605 5 -3 1 12 49.58 2.14 1.8386 1 4 0 6 49.60 2.18 1.8380 4 1 0 6 49.61 2.13 1.8375 -5 1 0 6 49.63 2.13 1.8367 -4 5 0 6 49.64 1.08 1.8366 -5 4 0 6 50.60 1.04 1.8038 0 -4 2 12 50.62 1.04 1.8033 -4 0 2 12 50.70 4.12 1.8007 4 0 2 12 51.43 1.17 1.7767 1 4 1 12 51.46 1.16 1.7757 5 -1 1 12 52.56 33.61 1.7413 0 0 4 2 53.76 1.00 1.7051 1 0 4 12 54.22 6.95 1.6916 -3 -2 2 12 54.26 6.93 1.6904 2 -5 2 12 54.31 6.92 1.6892 -5 3 2 12 54.34 20.70 1.6882 3 2 2 12 54.46 4.76 1.6849 5 0 0 6 54.52 2.37 1.6833 -5 5 0 6 54.71 2.40 1.6777 2 2 3 12 55.75 2.41 1.6488 -1 -3 3 12 55.76 2.01 1.6486 1 -4 3 12 55.79 2.41 1.6477 -4 1 3 12 55.82 2.40 1.6469 3 -4 3 12 55.84 2.00 1.6463 4 -3 3 12 55.87 7.19 1.6456 1 3 3 12 55.88 2.00 1.6452 3 1 3 12 56.66 1.78 1.6246 4 1 2 12 57.91 3.73 1.5923 2 4 0 6 57.96 7.44 1.5911 -4 6 0 6 58.41 1.24 1.5801 -3 -3 1 12 58.48 4.94 1.5782 3 3 1 12 58.51 1.23 1.5776 6 -3 1 12 59.19 1.13 1.5611 0 -4 3 12 59.28 1.12 1.5589 4 -4 3 12 59.30 1.12 1.5583 4 0 3 12 59.52 2.90 1.5530 -2 -4 1 12 59.59 8.67 1.5516 2 4 1 12 59.62 2.08 1.5508 -2 6 1 12 59.63 5.77 1.5506 6 -2 1 12 60.55 1.30 1.5292 1 -3 4 12 60.66 1.30 1.5266 2 1 4 12 61.06 11.39 1.5175 0 -5 2 12 61.16 22.65 1.5154 5 0 2 12 61.27 2.42 1.5128 5 1 0 6 61.33 1.20 1.5116 -6 5 0 6 62.60 1.31 1.4839 2 3 3 12 62.60 2.53 1.4839 3 2 3 12 62.74 7.59 1.4810 0 -3 4 12 62.82 7.56 1.4793 3 -3 4 12 62.83 5.82 1.4791 1 -6 1 12 62.86 7.54 1.4785 3 0 4 12 62.89 5.80 1.4778 5 1 1 12 62.92 5.79 1.4772 6 -5 1 12 64.34 1.25 1.4479 4 -6 2 12 64.38 1.24 1.4471 4 2 2 12 64.41 1.87 1.4465 2 4 2 12 64.74 1.87 1.4400 1 4 3 12 67.44 1.53 1.3887 1 -6 2 12 67.55 3.04 1.3866 5 1 2 12 67.57 2.00 1.3864 1 5 2 12 69.11 2.66 1.3591 -4 -3 1 12 69.17 5.31 1.3581 4 3 1 12 69.21 7.95 1.3574 -3 7 1 12 69.73 3.76 1.3486 5 2 0 6 69.78 1.87 1.3477 -7 5 0 6 70.28 1.85 1.3394 1 -2 5 12 70.32 2.76 1.3386 1 1 5 12 71.27 1.64 1.3233 -2 7 1 12 71.81 2.15 1.3145 -2 -4 3 12 71.89 4.27 1.3132 4 -6 3 12 71.99 6.38 1.3117 2 4 3 12 71.99 1.20 1.3117 4 2 3 12 73.24 2.83 1.2924 3 2 4 12 73.62 1.67 1.2866 3 4 2 12 73.69 1.11 1.2857 7 -3 2 12 73.74 1.19 1.2848 1 6 0 6 73.76 1.22 1.2845 6 1 0 6 73.78 1.19 1.2842 -7 1 0 6 73.83 1.19 1.2835 -6 7 0 6 74.25 3.03 1.2772 1 -3 5 12 74.29 1.11 1.2767 2 -3 5 12 74.32 3.02 1.2763 3 -2 5 12 74.36 1.66 1.2756 1 2 5 12 74.38 3.01 1.2754 2 1 5 12 74.84 3.22 1.2687 1 -6 3 12 74.97 6.41 1.2668 5 1 3 12 75.22 1.62 1.2632 1 4 4 12 75.51 1.11 1.2590 -2 -5 2 12 75.60 2.22 1.2579 5 -7 2 12 75.68 3.31 1.2567 2 5 2 12 79.02 2.00 1.2118 0 -5 4 12 79.15 3.98 1.2101 5 0 4 12 79.32 1.40 1.2079 2 2 5 12 79.62 2.28 1.2041 1 6 2 12 79.65 1.62 1.2037 3 5 0 6 79.91 1.03 1.2005 6 0 3 12 80.18 1.32 1.1971 3 -4 5 12 80.28 1.98 1.1958 1 3 5 12 80.70 1.99 1.1907 -4 -3 3 12 80.78 1.98 1.1898 3 -7 3 12 80.84 1.98 1.1890 -7 4 3 12 80.90 5.92 1.1882 4 3 3 12 81.89 1.01 1.1764 -2 -4 4 12 81.98 2.02 1.1753 4 -6 4 12 82.10 3.01 1.1739 2 4 4 12 82.11 1.19 1.1738 4 2 4 12 82.80 1.44 1.1657 5 2 3 12 83.23 3.70 1.1608 0 0 6 2 84.81 1.39 1.1432 1 -6 4 12 84.96 1.38 1.1415 6 -5 4 12 85.01 1.38 1.1409 5 1 4 12 85.25 2.06 1.1384 -3 -5 2 12 85.39 2.05 1.1369 3 5 2 12 86.00 1.05 1.1304 3 -5 5 12 86.10 4.39 1.1293 2 -1 6 12 86.11 1.56 1.1292 2 3 5 12 86.15 2.19 1.1288 1 1 6 12 87.39 1.39 1.1159 1 7 0 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.