Chambersite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050337 Kubel F, Crottaz O Zeitschrift fur Kristallographie 211 (1996) 924-924 Crystal structure of manganese chlorine boracite, Mn3B7O13Cl Locality: synthetic CELL PARAMETERS: 8.6710 8.6820 12.2820 90.000 90.000 90.000 SPACE GROUP: Pca2_1 ATOM X Y Z OCCUPANCY ISO(B) Mn 0.76170 0.25200 0.22110 1.000 0.834 Mn 0.48230 0.53330 0.49940 1.000 0.919 Mn -0.01620 0.03340 0.50280 1.000 0.929 B 0.50300 0.49600 0.24900 1.000 0.790 B 0.25610 0.24900 0.49580 1.000 0.711 B 0.00200 -0.00500 0.24950 1.000 0.711 B 0.45610 0.24900 0.35060 1.000 0.790 B 0.24740 0.40100 0.16900 1.000 0.632 B 0.90450 0.75100 0.82090 1.000 0.790 B 0.75280 0.90200 0.66900 1.000 0.553 O 0.22830 0.25000 0.23600 1.000 0.711 O 0.54010 0.33170 0.27580 1.000 0.711 O 0.38270 0.32410 0.43430 1.000 0.711 O 0.97170 0.15990 0.27440 1.000 0.711 O 0.31710 0.36290 0.06530 1.000 0.632 O 0.16570 0.97500 0.22540 1.000 0.711 O 0.14320 0.18100 0.42220 1.000 0.790 O 0.33900 0.51360 0.22750 1.000 0.711 O 0.17650 0.12430 0.06390 1.000 0.790 O 0.95150 0.59330 0.83950 1.000 0.711 O 0.53470 0.90880 0.85130 1.000 0.553 O 0.90810 0.53650 0.65280 1.000 0.632 O 0.58970 0.94290 0.65880 1.000 0.632 Cl 0.76910 0.25040 0.50870 1.000 1.250 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 12.33945532 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.42 4.10 6.1410 0 0 2 16.15 10.01 5.4885 1 1 1 20.46 1.67 4.3410 0 2 0 20.46 14.71 4.3403 1 1 2 20.49 4.27 4.3355 2 0 0 21.74 5.42 4.0883 2 0 1 25.12 19.29 3.5448 0 2 2 25.14 45.82 3.5418 2 0 2 26.17 5.03 3.4054 1 1 3 29.08 50.37 3.0705 0 0 4 29.11 100.00 3.0676 2 2 0 30.02 4.46 2.9766 2 0 3 30.03 1.35 2.9762 2 2 1 32.61 23.18 2.7458 1 1 4 32.62 13.88 2.7451 1 3 0 32.63 26.70 2.7443 2 2 2 32.65 9.87 2.7424 3 1 0 33.45 11.97 2.6790 1 3 1 33.48 2.03 2.6765 3 1 1 35.83 8.76 2.5061 1 3 2 35.84 7.18 2.5057 2 0 4 39.52 1.58 2.2804 1 1 5 39.52 4.94 2.2800 1 3 3 41.61 10.71 2.1705 0 4 0 41.62 49.99 2.1701 2 2 4 41.66 14.44 2.1677 4 0 0 42.34 1.22 2.1348 4 0 1 43.60 8.84 2.0757 1 2 5 43.61 9.16 2.0753 1 4 1 43.61 9.33 2.0753 2 1 5 43.62 9.58 2.0750 2 3 3 43.64 8.79 2.0742 3 2 3 43.66 9.82 2.0730 4 1 1 44.25 4.60 2.0470 0 0 6 44.29 1.75 2.0454 3 1 4 44.29 3.58 2.0451 3 3 0 44.93 7.58 2.0173 3 3 1 46.78 2.63 1.9418 1 1 6 47.46 2.26 1.9157 4 2 1 49.21 6.79 1.8515 0 2 6 49.22 11.78 1.8510 2 0 6 49.24 12.67 1.8506 2 4 2 49.27 19.68 1.8494 4 2 2 49.81 4.38 1.8305 1 3 5 49.84 5.56 1.8295 3 3 3 51.57 17.04 1.7724 0 4 4 51.61 15.65 1.7709 4 0 4 52.19 3.09 1.7527 4 2 3 53.84 9.74 1.7027 2 2 6 53.85 2.96 1.7026 1 5 0 53.86 5.47 1.7021 3 3 4 53.91 2.54 1.7006 5 1 0 54.40 5.83 1.6865 1 5 1 54.47 1.16 1.6845 5 1 1 56.04 2.33 1.6410 1 3 6 56.06 1.14 1.6406 2 4 4 56.06 1.82 1.6404 3 1 6 57.66 1.16 1.5988 1 2 7 57.66 1.15 1.5986 2 1 7 57.68 1.13 1.5982 2 5 1 57.71 1.16 1.5975 4 3 3 57.74 1.04 1.5968 5 2 1 58.73 4.93 1.5721 1 5 3 58.75 1.72 1.5717 3 3 5 58.80 2.25 1.5705 5 1 3 60.28 2.05 1.5352 0 0 8 60.35 4.09 1.5338 4 4 0 60.86 1.17 1.5222 4 2 5 62.35 2.13 1.4893 1 1 8 62.35 1.96 1.4892 0 4 6 62.36 2.57 1.4890 1 5 4 62.39 1.36 1.4885 3 5 0 62.39 3.45 1.4883 4 0 6 62.40 2.02 1.4881 4 4 2 62.42 3.16 1.4877 5 1 4 62.86 1.23 1.4784 1 3 7 62.90 2.62 1.4776 3 5 1 64.37 1.48 1.4474 0 2 8 64.38 2.36 1.4472 2 0 8 64.40 1.06 1.4468 3 3 6 64.41 2.49 1.4466 3 5 2 64.45 2.12 1.4458 5 3 2 64.98 1.22 1.4353 6 0 1 66.37 2.19 1.4084 2 4 6 66.40 2.90 1.4079 4 2 6 66.46 1.86 1.4067 6 0 2 66.86 3.10 1.3993 1 5 5 66.89 1.98 1.3989 3 5 3 68.32 7.14 1.3729 2 2 8 68.34 2.71 1.3726 2 6 0 68.37 7.11 1.3721 4 4 4 68.42 4.50 1.3712 6 2 0 70.75 1.65 1.3316 3 3 7 72.16 1.65 1.3090 1 5 6 72.25 1.09 1.3076 6 0 4 72.67 1.05 1.3011 4 2 7 74.54 1.32 1.2730 3 5 5 75.91 3.40 1.2534 0 4 8 75.94 5.56 1.2531 2 6 4 75.95 3.32 1.2529 4 0 8 76.01 7.83 1.2520 6 2 4 78.24 1.37 1.2219 1 5 7 78.25 1.85 1.2217 1 7 1 78.31 1.07 1.2210 5 5 1 79.60 1.36 1.2043 1 1 10 81.45 1.07 1.1816 0 6 6 81.92 1.58 1.1760 1 7 3 81.97 2.07 1.1754 5 5 3 85.08 2.56 1.1402 2 2 10 85.15 1.13 1.1394 5 5 4 85.17 1.09 1.1392 6 2 6 85.58 1.48 1.1349 3 7 1 86.91 1.34 1.1209 3 1 10 89.17 1.11 1.0982 1 7 5 89.19 1.47 1.0980 3 7 3 89.28 1.10 1.0971 7 3 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.