Holmquistite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070004 Camara F, Oberti R American Mineralogist 90 (2005) 1167-1176 The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: HS 119915 Siberia CELL PARAMETERS: 18.3550 17.7060 5.2767 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Mg 0.12520 0.15890 0.39470 0.630 0.553 Fe 0.12520 0.15890 0.39470 0.360 0.553 Mn 0.12520 0.15890 0.39470 0.010 0.553 Al 0.12540 0.06870 -0.10390 0.980 0.395 Fe 0.12540 0.06870 -0.10390 0.015 0.395 Zn 0.12540 0.06870 -0.10390 0.005 0.395 Mg 0.12530 0.25000 -0.10550 0.540 0.474 Fe 0.12530 0.25000 -0.10550 0.460 0.474 Li 0.12270 -0.00860 0.39540 0.990 1.579 Fe 0.12270 -0.00860 0.39540 0.010 1.579 Na 0.37500 0.25000 0.50000 0.030 1.500 Si 0.26950 0.16200 0.06730 0.998 0.316 Al 0.26950 0.16200 0.06730 0.002 0.316 Si -0.01880 0.16240 0.72320 0.998 0.395 Al -0.01880 0.16240 0.72320 0.002 0.395 Si 0.27360 0.07590 0.57330 1.000 0.316 Si -0.02420 0.07700 0.21450 1.000 0.395 O 0.18040 0.15630 0.04940 1.000 0.474 O 0.07010 0.15560 0.73960 1.000 0.553 O 0.18440 0.07530 0.59310 1.000 0.474 O 0.06520 0.07460 0.19680 1.000 0.474 OH 0.18240 0.25000 0.55420 0.985 0.632 F 0.18240 0.25000 0.55420 0.015 0.632 OH 0.06850 0.25000 0.23550 0.985 0.632 F 0.06850 0.25000 0.23550 0.015 0.632 O 0.31270 -0.00450 0.56160 1.000 0.553 O -0.06490 -0.00120 0.26730 1.000 0.632 O 0.30560 0.11470 -0.16460 1.000 0.632 O -0.05460 0.11360 0.94940 1.000 0.632 O 0.29670 0.12960 0.33590 1.000 0.632 O -0.04640 0.13340 0.44910 1.000 0.632 O 0.29330 0.25000 0.04250 1.000 0.711 O -0.04260 0.25000 0.75650 1.000 0.790 H 0.23120 0.25000 0.55630 0.985 1.000 H 0.00730 0.25000 0.23070 0.985 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 16 +/- 16 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 10.08296867 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.86 100.00 8.1480 2 1 0 17.49 1.18 5.0713 1 0 1 17.54 2.04 5.0569 0 1 1 17.87 1.13 4.9641 2 3 0 18.20 6.89 4.8753 1 1 1 19.34 3.41 4.5887 4 0 0 20.05 7.75 4.4291 2 1 1 20.06 35.17 4.4265 0 4 0 20.18 9.39 4.4005 1 2 1 21.87 3.40 4.0640 2 2 1 22.60 1.13 3.9338 0 3 1 22.81 1.44 3.8979 3 1 1 23.12 10.88 3.8464 1 3 1 24.44 4.55 3.6421 3 2 1 24.62 26.54 3.6156 2 3 1 26.73 2.62 3.3348 1 4 1 26.95 5.23 3.3089 3 3 1 26.99 3.70 3.3038 2 5 0 27.66 14.34 3.2247 4 2 1 28.01 9.56 3.1858 4 4 0 28.05 2.50 3.1810 2 4 1 29.63 62.97 3.0145 6 1 0 29.92 1.82 2.9866 4 3 1 30.13 1.19 2.9661 3 4 1 30.80 1.37 2.9034 1 5 1 31.36 5.41 2.8527 5 2 1 31.96 39.16 2.8002 2 5 1 32.98 11.54 2.7160 6 3 0 33.39 2.68 2.6839 5 3 1 33.82 28.11 2.6502 3 5 1 34.26 1.15 2.6175 6 1 1 34.72 2.65 2.5836 1 1 2 35.19 13.67 2.5506 1 6 1 35.40 29.88 2.5357 2 0 2 35.85 1.41 2.5048 1 2 2 36.06 1.06 2.4910 5 4 1 36.22 2.40 2.4798 2 6 1 36.29 12.66 2.4757 4 5 1 36.86 2.16 2.4385 2 7 0 37.11 10.04 2.4227 3 0 2 37.47 2.63 2.4003 3 1 2 38.90 1.43 2.3150 6 5 0 39.26 12.28 2.2950 5 5 1 39.39 1.39 2.2872 4 0 2 39.68 2.11 2.2715 6 4 1 39.71 2.05 2.2697 7 2 1 39.74 2.62 2.2684 4 1 2 40.15 3.79 2.2460 4 6 1 40.62 1.41 2.2210 8 2 0 40.76 5.98 2.2136 2 7 1 42.18 10.93 2.1424 5 0 2 42.29 2.97 2.1372 3 7 1 42.38 1.40 2.1327 4 3 2 42.50 8.82 2.1269 5 1 2 42.89 8.96 2.1084 5 6 1 43.63 1.51 2.0744 7 4 1 44.25 3.89 2.0471 8 2 1 44.35 2.32 2.0425 4 7 1 45.02 1.68 2.0139 5 3 2 46.07 6.30 1.9703 6 6 1 46.40 5.45 1.9570 7 5 1 46.90 2.67 1.9374 5 7 1 47.13 1.33 1.9284 5 4 2 47.31 1.36 1.9213 4 5 2 48.98 1.17 1.8599 9 2 1 48.98 2.29 1.8598 7 0 2 49.71 2.17 1.8342 1 9 1 49.95 2.36 1.8257 10 1 0 50.09 3.16 1.8210 6 4 2 50.45 3.08 1.8089 8 5 1 50.50 6.45 1.8073 2 9 1 51.62 3.90 1.7706 0 10 0 51.80 1.25 1.7650 3 9 1 52.19 1.84 1.7527 10 3 0 52.29 1.06 1.7496 3 7 2 53.15 3.74 1.7231 8 1 2 53.49 6.02 1.7132 8 6 1 54.43 2.00 1.6856 0 3 3 55.08 1.75 1.6674 2 8 2 55.81 1.09 1.6474 5 9 1 56.30 2.12 1.6340 3 8 2 57.08 2.62 1.6136 9 0 2 57.25 1.09 1.6093 2 4 3 57.34 3.64 1.6069 9 1 2 57.65 8.27 1.5989 9 6 1 57.89 3.69 1.5929 8 8 0 58.19 5.66 1.5854 2 11 0 58.32 1.26 1.5823 4 3 3 58.55 1.18 1.5765 4 10 1 58.60 15.29 1.5753 0 5 3 58.84 1.55 1.5695 1 5 3 60.53 2.45 1.5296 12 0 0 61.59 3.15 1.5058 1 6 3 61.73 3.30 1.5027 6 2 3 62.09 6.67 1.4948 10 6 1 62.28 7.29 1.4908 2 6 3 63.00 7.48 1.4755 0 12 0 64.15 1.31 1.4517 2 10 2 64.17 1.01 1.4512 11 5 1 64.53 3.49 1.4441 0 7 3 65.27 1.82 1.4295 3 10 2 65.43 2.06 1.4264 10 4 2 65.53 3.44 1.4245 6 11 0 66.28 3.37 1.4103 11 0 2 66.51 5.49 1.4058 11 1 2 66.73 1.27 1.4017 8 10 0 66.80 10.36 1.4004 11 6 1 68.39 1.40 1.3716 11 3 2 69.24 2.05 1.3570 12 5 1 69.37 4.70 1.3547 6 6 3 70.20 4.11 1.3407 3 11 2 71.49 4.19 1.3196 12 1 2 71.73 1.60 1.3158 1 0 4 71.77 6.59 1.3151 12 6 1 71.96 2.07 1.3122 1 1 4 72.02 2.47 1.3113 0 9 3 72.26 2.26 1.3075 14 1 0 72.37 1.64 1.3058 2 0 4 72.83 2.14 1.2987 8 5 3 73.32 1.84 1.2912 12 3 2 73.43 1.73 1.2895 3 0 4 73.78 1.28 1.2843 1 3 4 74.39 7.52 1.2753 2 12 2 74.56 1.87 1.2728 13 5 1 74.90 1.75 1.2678 4 0 4 75.43 3.97 1.2602 3 12 2 76.78 1.17 1.2415 5 0 4 81.68 2.74 1.1789 8 11 2 81.72 1.05 1.1784 7 0 4 82.73 1.57 1.1665 10 6 3 85.14 3.38 1.1396 9 11 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.