Fluor-dravite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R110031 Clark C M, Hawthorne F C, Ottolini L The Canadian Mineralogist 49 (2011) 57-62 Fluor-dravite, NaMg3Al6Si6O18(BO3)3(OH)3F, a new mineral species of the tourmaline group from the Crabtree Emerald mine, Mitchell County, North Carolina: Description and crystal structure Locality: the Crabtree Emerald mine, Mitchell County, North Carolina, USA CELL PARAMETERS: 15.9550 15.9550 7.2164 90.000 90.000 120.000 SPACE GROUP: R3m ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.00000 0.84080 0.880 1.650 Ca 0.00000 0.00000 0.84080 0.040 1.650 Mg 0.06312 0.93688 0.44473 0.430 0.695 Fe 0.06312 0.93688 0.44473 0.290 0.695 Al 0.06312 0.93688 0.44473 0.190 0.695 Mn 0.06312 0.93688 0.44473 0.030 0.695 Ti 0.06312 0.93688 0.44473 0.010 0.695 Li 0.06312 0.93688 0.44473 0.040 0.695 Al 0.26174 0.29827 0.45757 0.910 0.561 Mg 0.26174 0.29827 0.45757 0.090 0.561 Si 0.19009 0.19191 0.07041 1.000 0.529 B 0.88998 0.11002 0.61615 1.000 0.647 F 0.00000 0.00000 0.29119 0.610 1.555 OH 0.00000 0.00000 0.29119 0.390 1.555 OH 0.93841 0.06159 0.59029 1.000 0.963 O 0.13491 0.86509 0.55913 1.000 0.900 O 0.90702 0.09298 0.00075 1.000 0.861 O 0.09271 0.90729 -0.02049 1.000 0.853 O 0.18803 0.19746 0.29369 1.000 0.742 O 0.28527 0.28493 -0.01074 1.000 0.726 O 0.27133 0.21031 0.62784 1.000 0.790 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 12 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 8.048131704 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.84 33.53 6.3966 1 0 1 17.77 17.38 4.9904 0 2 1 19.27 14.72 4.6058 3 0 0 21.00 57.63 4.2308 2 1 1 22.29 67.96 3.9887 2 2 0 25.51 50.55 3.4911 0 1 2 26.33 7.52 3.3846 1 3 1 28.65 2.14 3.1158 4 0 1 29.63 10.84 3.0152 4 1 0 30.10 66.31 2.9686 1 2 2 30.81 6.41 2.9023 3 2 1 34.13 3.94 2.6270 3 1 2 34.76 100.00 2.5807 0 5 1 35.99 2.71 2.4952 0 4 2 36.60 2.63 2.4554 2 4 1 37.38 7.14 2.4055 0 0 3 37.78 12.40 2.3814 2 3 2 38.36 16.01 2.3468 5 1 1 39.12 2.61 2.3029 6 0 0 40.78 1.23 2.2126 5 2 0 41.14 11.82 2.1939 5 0 2 41.68 10.86 2.1668 4 3 1 42.39 4.84 2.1322 0 3 3 42.39 5.58 2.1322 3 0 3 42.75 5.99 2.1154 4 2 2 43.96 12.64 2.0599 2 2 3 44.30 38.93 2.0447 1 5 2 44.81 6.35 2.0227 1 6 1 45.48 4.44 1.9944 4 4 0 47.29 28.96 1.9223 3 4 2 47.77 1.94 1.9040 3 5 1 48.41 6.53 1.8804 1 4 3 49.20 7.19 1.8520 6 2 1 49.82 1.18 1.8302 7 1 0 51.05 2.17 1.7889 1 0 4 51.21 3.72 1.7839 3 3 3 52.42 1.83 1.7456 0 2 4 52.87 1.07 1.7317 5 3 2 54.20 2.88 1.6923 2 6 2 55.22 15.43 1.6635 0 6 3 55.22 4.39 1.6635 6 0 3 55.94 14.07 1.6437 2 7 1 57.64 3.59 1.5991 4 0 4 57.79 17.79 1.5955 5 5 0 58.07 2.61 1.5885 4 5 2 58.49 1.26 1.5781 8 1 1 58.90 1.83 1.5679 3 2 4 59.73 3.58 1.5481 4 6 1 60.28 3.77 1.5353 9 0 0 60.56 5.48 1.5290 7 2 2 60.97 1.65 1.5197 7 3 1 61.37 14.74 1.5107 0 5 4 61.51 3.60 1.5076 8 2 0 62.58 2.80 1.4843 2 4 4 62.99 1.49 1.4758 1 8 2 63.78 16.95 1.4593 5 1 4 63.91 3.58 1.4565 1 7 3 64.18 4.95 1.4511 6 4 2 64.97 4.00 1.4355 0 1 5 65.10 4.22 1.4328 7 4 0 65.76 1.51 1.4201 1 9 1 65.76 6.01 1.4201 6 5 1 66.14 10.53 1.4127 4 3 4 66.27 1.17 1.4103 3 6 3 66.27 3.87 1.4103 6 3 3 68.08 1.36 1.3772 3 8 1 69.23 10.11 1.3571 10 0 1 69.99 3.05 1.3442 5 6 2 70.75 2.66 1.3317 0 4 5 70.75 2.58 1.3317 3 5 4 70.87 4.26 1.3296 5 5 3 70.88 3.37 1.3296 6 6 0 71.87 1.88 1.3135 2 3 5 71.88 1.03 1.3135 6 2 4 72.00 10.03 1.3115 10 1 0 72.25 2.26 1.3076 8 3 2 72.63 1.22 1.3018 5 7 1 73.37 1.47 1.2904 0 10 2 73.75 1.86 1.2848 8 4 1 74.11 10.57 1.2793 5 0 5 74.24 2.38 1.2774 2 8 3 74.24 3.86 1.2774 9 3 0 75.22 3.21 1.2632 5 4 4 77.06 3.86 1.2375 0 11 1 77.79 1.66 1.2277 4 8 2 78.16 1.17 1.2229 2 10 1 78.52 2.24 1.2182 3 4 5 79.73 2.02 1.2027 0 0 6 81.42 2.91 1.1819 11 1 1 82.98 1.20 1.1637 3 0 6 84.06 5.60 1.1515 10 1 3 86.09 1.21 1.1295 1 9 4 86.21 2.02 1.1282 9 3 3 87.27 1.10 1.1171 1 4 6 89.30 1.90 1.0970 10 0 4 89.41 1.14 1.0959 3 3 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.