Holmquistite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070005 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: 18.2720 17.6660 5.2682 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: 10.16317306 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.90 100.00 8.1151 2 1 0 17.52 1.18 5.0620 1 0 1 17.57 2.05 5.0485 0 1 1 17.92 1.13 4.9496 2 3 0 18.23 6.92 4.8662 1 1 1 19.43 3.40 4.5680 4 0 0 20.10 7.77 4.4187 2 1 1 20.11 35.28 4.4165 0 4 0 20.22 9.42 4.3919 1 2 1 21.92 3.41 4.0546 2 2 1 22.65 1.14 3.9263 0 3 1 22.88 1.44 3.8868 3 1 1 23.17 10.91 3.8387 1 3 1 24.51 4.55 3.6320 3 2 1 24.68 26.61 3.6073 2 3 1 26.79 2.63 3.3279 1 4 1 27.02 5.23 3.3000 3 3 1 27.06 3.71 3.2954 2 5 0 27.75 14.33 3.2146 4 2 1 28.10 9.55 3.1751 4 4 0 28.12 2.51 3.1737 2 4 1 29.77 62.70 3.0011 6 1 0 30.01 1.82 2.9776 4 3 1 30.21 1.20 2.9584 3 4 1 30.86 1.37 2.8973 1 5 1 31.47 5.40 2.8429 5 2 1 32.04 39.23 2.7938 2 5 1 33.12 11.50 2.7050 6 3 0 33.50 2.68 2.6750 5 3 1 33.91 28.15 2.6436 3 5 1 34.39 1.15 2.6076 6 1 1 34.78 2.66 2.5792 1 1 2 35.26 13.70 2.5451 1 6 1 35.47 29.97 2.5310 2 0 2 35.91 1.42 2.5005 1 2 2 36.17 1.06 2.4831 5 4 1 36.31 2.41 2.4741 2 6 1 36.39 12.67 2.4689 4 5 1 36.95 2.16 2.4326 2 7 0 37.19 10.07 2.4177 3 0 2 37.55 2.64 2.3954 3 1 2 39.05 1.42 2.3067 6 5 0 39.38 12.28 2.2880 5 5 1 39.49 1.40 2.2819 4 0 2 39.82 2.10 2.2638 6 4 1 39.83 2.62 2.2631 4 1 2 39.87 2.04 2.2610 7 2 1 40.26 3.78 2.2400 4 6 1 40.81 1.40 2.2113 8 2 0 40.86 5.99 2.2085 2 7 1 42.30 10.93 2.1368 5 0 2 42.40 2.98 2.1320 3 7 1 42.49 1.40 2.1277 4 3 2 42.62 8.82 2.1214 5 1 2 43.03 8.94 2.1023 5 6 1 43.80 1.50 2.0670 7 4 1 44.43 3.87 2.0389 8 2 1 44.47 2.32 2.0372 4 7 1 45.14 1.68 2.0087 5 3 2 46.22 6.28 1.9641 6 6 1 46.57 5.43 1.9503 7 5 1 47.04 2.67 1.9320 5 7 1 47.25 1.33 1.9235 5 4 2 47.43 1.35 1.9169 4 5 2 49.14 2.28 1.8541 7 0 2 49.19 1.16 1.8523 9 2 1 49.83 2.17 1.8301 1 9 1 50.20 2.33 1.8175 10 1 0 50.24 3.16 1.8160 6 4 2 50.62 6.46 1.8032 2 9 1 50.65 3.06 1.8024 8 5 1 51.75 3.90 1.7666 0 10 0 51.93 1.26 1.7608 3 9 1 52.41 1.06 1.7458 3 7 2 52.43 1.83 1.7451 10 3 0 53.34 3.73 1.7175 8 1 2 53.69 6.00 1.7073 8 6 1 54.53 2.00 1.6828 0 3 3 55.20 1.75 1.6640 2 8 2 55.97 1.09 1.6430 5 9 1 56.43 2.12 1.6305 3 8 2 57.30 2.61 1.6080 9 0 2 57.36 1.09 1.6064 2 4 3 57.55 3.63 1.6014 9 1 2 57.88 8.23 1.5931 9 6 1 58.10 3.67 1.5876 8 8 0 58.34 5.65 1.5817 2 11 0 58.45 1.26 1.5791 4 3 3 58.71 1.18 1.5726 4 10 1 58.71 15.33 1.5725 0 5 3 58.95 1.55 1.5668 1 5 3 60.83 2.43 1.5227 12 0 0 61.71 3.15 1.5031 1 6 3 61.89 3.30 1.4992 6 2 3 62.35 6.63 1.4892 10 6 1 62.41 7.29 1.4880 2 6 3 63.16 7.48 1.4722 0 12 0 64.30 1.31 1.4486 2 10 2 64.66 3.49 1.4414 0 7 3 65.43 1.82 1.4264 3 10 2 65.69 2.04 1.4215 10 4 2 65.73 3.44 1.4206 6 11 0 66.55 3.35 1.4050 11 0 2 66.79 5.46 1.4006 11 1 2 66.97 1.26 1.3974 8 10 0 67.09 10.29 1.3951 11 6 1 68.68 1.39 1.3667 11 3 2 69.56 2.03 1.3515 12 5 1 69.56 4.70 1.3515 6 6 3 70.38 4.11 1.3377 3 11 2 71.81 4.16 1.3146 12 1 2 71.87 1.60 1.3136 1 0 4 72.10 6.54 1.3100 12 6 1 72.10 2.07 1.3100 1 1 4 72.18 2.47 1.3088 0 9 3 72.51 1.64 1.3036 2 0 4 72.64 2.25 1.3016 14 1 0 73.05 2.14 1.2952 8 5 3 73.58 1.73 1.2873 3 0 4 73.64 1.83 1.2864 12 3 2 73.92 1.28 1.2821 1 3 4 74.57 7.52 1.2726 2 12 2 74.91 1.86 1.2676 13 5 1 75.06 1.75 1.2655 4 0 4 75.63 3.97 1.2574 3 12 2 76.95 1.17 1.2390 5 0 4 81.93 1.05 1.1759 7 0 4 81.95 2.74 1.1756 8 11 2 83.03 1.57 1.1631 10 6 3 85.44 3.38 1.1363 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.