Hydroxylherderite Lager G A, Gibbs G V American Mineralogist 59 (1974) 919-925 A refinement of the crystal structure of herderite, CaBePO4OH _database_code_amcsd 0000413 CELL PARAMETERS: 9.7890 7.6610 4.8040 90.000 90.020 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 360.269 Density (g/cm3): 2.951 MAX. ABS. INTENSITY / VOLUME**2: 6.236677965 RIR: 0.688 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.68 30.01 6.0331 1 1 0 4 18.47 16.75 4.8040 0 0 1 2 21.54 5.36 4.1246 2 1 0 4 21.84 2.71 4.0700 0 1 1 4 23.22 17.69 3.8305 0 2 0 2 23.67 11.98 3.7585 -1 1 1 4 23.68 21.55 3.7577 1 1 1 4 24.96 1.56 3.5671 1 2 0 4 25.98 12.66 3.4291 -2 0 1 2 25.99 51.64 3.4279 2 0 1 2 28.52 100.00 3.1299 -2 1 1 4 28.53 76.64 3.1290 2 1 1 4 29.61 24.73 3.0165 2 2 0 4 29.83 58.69 2.9950 0 2 1 4 31.23 48.83 2.8641 -1 2 1 4 31.23 41.17 2.8638 1 2 1 4 35.12 1.79 2.5549 -2 2 1 4 35.13 10.26 2.5544 2 2 1 4 35.25 12.23 2.5462 -3 1 1 4 35.26 26.98 2.5455 3 1 1 4 36.16 2.12 2.4839 3 2 0 4 36.36 4.55 2.4710 1 3 0 4 36.72 12.04 2.4472 4 0 0 2 37.44 4.00 2.4020 0 0 2 2 38.62 18.37 2.3312 4 1 0 4 39.31 1.98 2.2920 0 1 2 4 39.82 22.79 2.2640 2 3 0 4 39.98 22.33 2.2549 0 3 1 4 40.42 16.71 2.2318 -1 1 2 4 40.42 1.55 2.2315 1 1 2 4 40.90 31.24 2.2067 -3 2 1 4 40.91 26.40 2.2062 3 2 1 4 41.08 1.19 2.1974 -1 3 1 4 41.08 4.43 2.1973 1 3 1 4 41.40 11.23 2.1809 -4 0 1 2 41.41 13.52 2.1803 4 0 1 2 41.89 9.22 2.1566 -2 0 2 2 41.90 1.27 2.1560 2 0 2 2 43.13 8.39 2.0976 -4 1 1 4 44.22 7.06 2.0481 -2 3 1 4 44.52 4.28 2.0350 0 2 2 4 45.08 6.95 2.0110 3 3 0 4 45.52 13.64 1.9925 -1 2 2 4 45.53 15.11 1.9923 1 2 2 4 47.47 9.11 1.9152 0 4 0 2 47.96 2.76 1.8968 5 1 0 4 48.00 3.03 1.8953 -4 2 1 4 48.43 2.77 1.8796 1 4 0 4 48.45 3.38 1.8789 2 2 2 4 48.53 13.23 1.8758 -3 1 2 4 48.55 15.67 1.8752 3 1 2 4 49.12 2.00 1.8549 3 3 1 4 51.22 12.61 1.7836 2 4 0 4 51.36 18.04 1.7791 0 4 1 4 51.74 7.01 1.7669 4 3 0 4 51.81 3.67 1.7645 -5 1 1 4 52.49 13.01 1.7433 5 2 0 4 53.03 1.78 1.7269 -3 2 2 4 53.18 5.57 1.7224 -1 3 2 4 53.44 6.63 1.7145 -4 0 2 2 54.87 4.56 1.6732 -4 1 2 4 54.89 19.48 1.6726 4 1 2 4 55.40 12.75 1.6584 -4 3 1 4 55.41 11.15 1.6582 4 3 1 4 55.79 12.29 1.6477 -2 3 2 4 55.80 19.83 1.6474 2 3 2 4 56.12 4.22 1.6389 -5 2 1 4 56.40 4.30 1.6315 6 0 0 2 57.56 2.83 1.6013 0 0 3 2 59.03 5.79 1.5649 -4 2 2 4 59.15 2.16 1.5619 3 4 1 4 59.75 1.35 1.5477 1 1 3 4 59.86 7.02 1.5450 -6 0 1 2 59.88 4.91 1.5447 6 0 1 2 59.99 1.43 1.5421 -3 3 2 4 60.87 4.01 1.5218 2 0 3 2 61.48 1.00 1.5083 4 4 0 4 61.81 5.74 1.5010 6 2 0 4 62.18 2.71 1.4929 -2 1 3 4 62.19 2.01 1.4926 2 1 3 4 62.39 1.82 1.4884 5 1 2 4 62.77 2.01 1.4803 -1 4 2 4 62.86 1.14 1.4784 -5 3 1 4 63.70 5.14 1.4610 -1 2 3 4 63.70 6.05 1.4608 1 2 3 4 64.55 4.03 1.4438 -1 5 1 4 64.55 1.83 1.4438 1 5 1 4 64.79 1.99 1.4389 4 4 1 4 65.10 1.94 1.4328 -6 2 1 4 65.14 1.95 1.4321 -2 4 2 4 65.15 3.33 1.4319 2 4 2 4 66.13 5.30 1.4131 -3 1 3 4 66.15 3.11 1.4127 3 1 3 4 66.25 1.57 1.4107 5 2 2 4 69.00 2.33 1.3611 -3 4 2 4 69.26 2.92 1.3567 0 3 3 4 69.90 1.79 1.3457 3 2 3 4 70.69 3.47 1.3325 -3 5 1 4 70.70 5.43 1.3324 3 5 1 4 71.30 2.28 1.3227 -7 1 1 4 71.35 1.23 1.3219 -6 3 1 4 71.49 2.83 1.3197 4 1 3 4 71.68 1.57 1.3166 5 4 1 4 72.26 1.63 1.3075 -2 3 3 4 74.28 3.81 1.2768 0 6 0 2 74.54 2.92 1.2731 -6 2 2 4 74.94 1.10 1.2672 -7 2 1 4 74.96 4.32 1.2670 7 2 1 4 75.02 2.76 1.2661 1 6 0 4 75.10 3.05 1.2650 -4 2 3 4 75.89 1.83 1.2537 -4 5 1 4 75.90 2.61 1.2536 4 5 1 4 75.95 1.32 1.2528 -3 3 3 4 75.97 1.76 1.2526 3 3 3 4 76.22 1.66 1.2491 -2 5 2 4 76.23 2.94 1.2489 2 5 2 4 76.74 10.72 1.2420 6 4 0 4 77.74 5.48 1.2285 0 4 3 4 78.05 1.16 1.2243 1 6 1 4 78.09 1.36 1.2238 -5 1 3 4 78.10 2.77 1.2236 8 0 0 2 78.12 1.57 1.2234 5 1 3 4 78.46 2.14 1.2189 1 4 3 4 79.29 4.00 1.2083 8 1 0 4 79.42 1.75 1.2066 5 5 0 4 79.85 3.56 1.2012 -3 5 2 4 79.87 2.50 1.2010 0 0 4 2 79.87 5.29 1.2010 3 5 2 4 80.23 1.94 1.1965 2 6 1 4 80.43 1.33 1.1939 -7 1 2 4 80.62 1.13 1.1916 -2 4 3 4 80.84 1.13 1.1890 3 6 0 4 80.89 1.37 1.1883 7 3 1 4 81.03 1.20 1.1867 -4 3 3 4 81.04 1.57 1.1865 0 1 4 4 81.05 3.22 1.1864 4 3 3 4 81.63 3.59 1.1795 -5 2 3 4 81.66 2.73 1.1791 5 2 3 4 81.77 2.10 1.1778 1 1 4 4 83.82 2.05 1.1542 3 6 1 4 83.95 4.21 1.1527 -7 2 2 4 83.98 3.57 1.1524 7 2 2 4 84.82 1.86 1.1430 -6 0 3 2 84.86 2.89 1.1426 6 0 3 2 85.27 1.29 1.1382 1 2 4 4 86.02 1.51 1.1301 6 1 3 4 86.99 4.01 1.1201 -1 6 2 4 87.49 1.07 1.1149 5 3 3 4 88.65 5.51 1.1033 -6 4 2 4 88.67 1.04 1.1031 6 4 2 4 88.99 2.80 1.1000 1 5 3 4 89.12 1.24 1.0987 -2 6 2 4 89.19 3.96 1.0981 -4 4 3 4 89.47 1.14 1.0953 -6 2 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.