Hydroxylherderite Gatta G D, Jacobsen S D, Vignola P, McIntyre G J, Guastella G, Abate L F Mineralogical Magazine 78 (2014) 723-737 Single-crystal neutron diffraction and Raman spectroscopic study of hydroxylherderite, CaBePO4(OH,F) Locality: Bennett pegmatite, Buckfield, Oxford County, Maine, USA _database_code_amcsd 0020485 CELL PARAMETERS: 9.7856 7.6607 4.8025 90.000 90.020 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 360.017 Density (g/cm3): 2.984 MAX. ABS. INTENSITY / VOLUME**2: 6.349441319 RIR: 0.693 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.69 23.55 6.0321 1 1 0 4 18.47 14.05 4.8025 0 0 1 2 21.55 4.95 4.1235 2 1 0 4 21.84 3.26 4.0690 0 1 1 4 23.22 15.49 3.8303 0 2 0 2 23.68 11.56 3.7576 -1 1 1 4 23.68 17.25 3.7568 1 1 1 4 24.96 1.29 3.5668 1 2 0 4 25.99 13.31 3.4280 -2 0 1 2 26.00 47.46 3.4268 2 0 1 2 28.53 100.00 3.1290 -2 1 1 4 28.54 75.97 3.1281 2 1 1 4 29.62 23.62 3.0161 2 2 0 4 29.84 60.36 2.9945 0 2 1 4 31.23 45.77 2.8636 -1 2 1 4 31.24 41.22 2.8633 1 2 1 4 35.13 1.47 2.5544 -2 2 1 4 35.14 11.18 2.5539 2 2 1 4 35.26 10.97 2.5454 -3 1 1 4 35.27 27.06 2.5447 3 1 1 4 36.17 2.22 2.4834 3 2 0 4 36.36 4.76 2.4708 1 3 0 4 36.74 12.30 2.4464 4 0 0 2 37.45 3.78 2.4012 0 0 2 2 38.63 17.94 2.3305 4 1 0 4 39.32 1.95 2.2913 0 1 2 4 39.82 23.35 2.2638 2 3 0 4 39.99 22.47 2.2547 0 3 1 4 40.43 16.96 2.2311 -1 1 2 4 40.43 1.51 2.2308 1 1 2 4 40.91 30.20 2.2062 -3 2 1 4 40.92 26.26 2.2057 3 2 1 4 41.08 1.18 2.1972 -1 3 1 4 41.08 4.62 2.1970 1 3 1 4 41.42 10.42 2.1802 -4 0 1 2 41.43 13.38 2.1796 4 0 1 2 41.90 9.34 2.1559 -2 0 2 2 41.92 1.36 2.1553 2 0 2 2 43.14 8.09 2.0969 -4 1 1 4 44.23 7.19 2.0478 -2 3 1 4 44.53 4.20 2.0345 0 2 2 4 45.09 6.62 2.0107 3 3 0 4 45.54 12.76 1.9920 -1 2 2 4 45.54 14.80 1.9918 1 2 2 4 47.47 8.66 1.9152 0 4 0 2 47.98 2.80 1.8962 5 1 0 4 48.02 3.07 1.8948 -4 2 1 4 48.43 2.46 1.8795 1 4 0 4 48.45 1.02 1.8788 -2 2 2 4 48.46 3.11 1.8784 2 2 2 4 48.55 12.47 1.8753 -3 1 2 4 48.56 15.74 1.8747 3 1 2 4 49.13 1.80 1.8546 3 3 1 4 51.22 12.08 1.7834 2 4 0 4 51.36 17.07 1.7789 0 4 1 4 51.75 6.65 1.7665 4 3 0 4 51.83 3.52 1.7639 -5 1 1 4 52.51 12.40 1.7428 5 2 0 4 53.04 1.64 1.7265 -3 2 2 4 53.19 5.27 1.7221 -1 3 2 4 53.46 6.40 1.7140 -4 0 2 2 54.89 4.33 1.6726 -4 1 2 4 54.91 18.46 1.6721 4 1 2 4 55.41 12.29 1.6581 -4 3 1 4 55.42 10.30 1.6578 4 3 1 4 55.81 11.68 1.6473 -2 3 2 4 55.82 18.73 1.6471 2 3 2 4 56.14 3.87 1.6384 -5 2 1 4 56.42 4.02 1.6309 6 0 0 2 57.58 2.56 1.6008 0 0 3 2 59.04 5.42 1.5645 -4 2 2 4 59.16 2.18 1.5617 3 4 1 4 59.77 1.32 1.5472 1 1 3 4 59.89 6.66 1.5445 -6 0 1 2 59.90 4.58 1.5441 6 0 1 2 60.00 1.38 1.5418 -3 3 2 4 60.89 3.67 1.5213 2 0 3 2 61.83 5.36 1.5006 6 2 0 4 62.20 2.52 1.4925 -2 1 3 4 62.21 1.78 1.4922 2 1 3 4 62.41 1.64 1.4879 5 1 2 4 62.78 1.90 1.4801 -1 4 2 4 62.87 1.06 1.4781 -5 3 1 4 63.72 4.88 1.4606 -1 2 3 4 63.72 5.79 1.4604 1 2 3 4 64.55 3.82 1.4437 -1 5 1 4 64.55 1.72 1.4437 1 5 1 4 64.80 1.89 1.4387 4 4 1 4 65.12 1.81 1.4324 -6 2 1 4 65.15 1.81 1.4318 -2 4 2 4 65.16 3.17 1.4316 2 4 2 4 66.15 4.98 1.4126 -3 1 3 4 66.17 3.06 1.4123 3 1 3 4 66.28 1.49 1.4103 5 2 2 4 69.01 2.26 1.3609 -3 4 2 4 69.27 2.76 1.3563 0 3 3 4 69.92 1.72 1.3453 3 2 3 4 70.70 3.20 1.3324 -3 5 1 4 70.71 5.01 1.3323 3 5 1 4 71.33 2.16 1.3222 -7 1 1 4 71.37 1.10 1.3216 -6 3 1 4 71.51 2.65 1.3193 4 1 3 4 71.70 1.50 1.3163 5 4 1 4 72.28 1.57 1.3072 -2 3 3 4 74.28 3.56 1.2768 0 6 0 2 74.56 2.70 1.2727 -6 2 2 4 74.98 4.10 1.2666 7 2 1 4 75.02 2.59 1.2661 1 6 0 4 75.12 2.82 1.2646 -4 2 3 4 75.90 1.67 1.2536 -4 5 1 4 75.91 2.43 1.2534 4 5 1 4 75.98 1.18 1.2525 -3 3 3 4 75.99 1.60 1.2523 3 3 3 4 76.24 1.55 1.2489 -2 5 2 4 76.24 2.74 1.2488 2 5 2 4 76.76 9.87 1.2417 6 4 0 4 77.75 5.04 1.2283 0 4 3 4 78.06 1.05 1.2242 1 6 1 4 78.12 1.24 1.2234 -5 1 3 4 78.14 2.54 1.2232 8 0 0 2 78.15 1.45 1.2230 5 1 3 4 78.48 2.03 1.2187 1 4 3 4 79.32 3.68 1.2079 8 1 0 4 79.44 1.62 1.2064 5 5 0 4 79.87 3.27 1.2010 -3 5 2 4 79.88 4.91 1.2008 3 5 2 4 79.90 2.27 1.2006 0 0 4 2 80.23 1.74 1.1964 2 6 1 4 80.47 1.24 1.1936 -7 1 2 4 80.64 1.05 1.1914 -2 4 3 4 80.84 1.08 1.1889 3 6 0 4 80.92 1.26 1.1880 7 3 1 4 81.05 1.08 1.1864 -4 3 3 4 81.07 1.46 1.1861 0 1 4 4 81.08 2.93 1.1861 4 3 3 4 81.66 3.33 1.1791 -5 2 3 4 81.69 2.49 1.1788 5 2 3 4 81.80 1.97 1.1775 1 1 4 4 83.83 1.86 1.1541 3 6 1 4 83.98 3.83 1.1523 -7 2 2 4 84.01 3.21 1.1520 7 2 2 4 84.86 1.67 1.1427 -6 0 3 2 84.89 2.60 1.1423 6 0 3 2 85.30 1.17 1.1378 1 2 4 4 86.06 1.41 1.1298 6 1 3 4 87.00 3.62 1.1199 -1 6 2 4 88.67 5.00 1.1031 -6 4 2 4 89.01 2.53 1.0998 1 5 3 4 89.13 1.13 1.0986 -2 6 2 4 89.21 3.57 1.0978 -4 4 3 4 89.51 1.03 1.0950 -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.