Sarabauite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data for R060495 Nakai I, Nagashima K, Koto K, Morimoto N Acta Crystallographica B34 (1978) 3569-3572 Crystal structure of oxide-chalcogenide. I.The crystal stucture of sarabauite CaSb10O10S6 Locality: Sarabau mine, Sarawak, Malaysia CELL PARAMETERS: 25.3700 5.6540 16.8700 90.000 117.580 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.44690 0.25000 1.000 0.890 Sb 0.45169 0.49080 0.08811 1.000 0.930 Sb 0.06051 0.43970 0.08433 1.000 1.080 Sb 0.40195 0.39040 0.24784 1.000 0.880 Sb 0.16446 0.38590 0.45181 1.000 1.130 Sb 0.22746 0.10100 0.13422 1.000 1.750 O 0.02416 0.32940 0.48238 1.000 1.530 O 0.08414 0.25010 0.37423 1.000 1.240 O 0.45493 0.14690 0.33428 1.000 1.230 O 0.43880 0.27960 0.17364 1.000 1.160 O 0.03093 0.11500 0.17919 1.000 1.270 S 0.29545 0.47990 0.02610 1.000 1.430 S 0.17228 0.42820 0.31099 1.000 1.460 S 0.32441 0.26270 0.35632 1.000 3.890 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 20 +/- 5 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 44.08930977 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.86 26.64 11.2435 2 0 0 10.76 8.63 8.2242 -2 0 2 11.84 3.23 7.4765 0 0 2 14.69 2.30 6.0302 -4 0 2 16.16 1.35 5.4833 1 1 0 17.85 4.78 4.9699 1 1 1 19.67 1.24 4.5139 3 1 0 19.94 39.31 4.4523 -3 1 2 21.03 21.49 4.2244 -6 0 2 21.15 28.11 4.2012 1 1 2 21.29 1.35 4.1725 -2 0 4 21.61 2.51 4.1121 -4 0 4 22.59 8.63 3.9361 -3 1 3 22.71 31.13 3.9148 -1 1 3 23.72 3.18 3.7510 -5 1 2 23.74 3.21 3.7478 6 0 0 23.78 1.39 3.7418 -5 1 1 23.80 2.92 3.7382 0 0 4 23.80 1.70 3.7382 4 0 2 25.47 3.43 3.4970 1 1 3 25.74 69.73 3.4608 3 1 2 26.38 10.05 3.3788 -3 1 4 27.31 1.05 3.2651 -1 1 4 27.81 100.00 3.2074 -5 1 4 28.07 33.77 3.1788 5 1 1 28.28 29.19 3.1561 -8 0 2 28.44 3.19 3.1388 2 0 4 29.28 5.32 3.0497 -7 1 2 29.71 3.68 3.0069 -7 1 3 30.09 3.52 2.9699 -7 1 1 30.42 1.76 2.9382 1 1 4 31.32 6.01 2.8556 -7 1 4 31.46 7.66 2.8434 -5 1 5 31.65 13.49 2.8270 0 2 0 31.78 36.83 2.8155 5 1 2 31.84 20.44 2.8110 -4 0 6 31.84 11.93 2.8109 8 0 0 32.04 12.35 2.7931 7 1 0 32.23 6.53 2.7778 0 2 1 32.44 1.28 2.7597 -1 1 5 32.53 15.61 2.7524 -2 2 1 32.66 2.88 2.7417 2 2 0 32.67 1.04 2.7414 -6 0 6 33.02 29.35 2.7129 -2 0 6 33.90 2.32 2.6443 0 2 2 33.97 6.31 2.6388 -7 1 5 34.42 12.64 2.6059 4 0 4 34.77 37.72 2.5801 -4 2 1 34.97 2.15 2.5655 7 1 1 35.18 2.47 2.5508 3 1 4 35.38 1.75 2.5368 -8 0 6 35.54 1.60 2.5256 4 2 0 35.61 1.19 2.5209 -9 1 3 35.82 5.51 2.5066 -10 0 4 35.98 2.68 2.4960 -3 1 6 35.99 2.03 2.4956 -10 0 2 36.04 7.76 2.4922 0 0 6 36.19 3.00 2.4824 5 1 3 37.46 4.89 2.4006 -7 1 6 37.93 1.04 2.3719 -1 1 6 38.11 9.67 2.3613 -9 1 5 38.31 1.01 2.3494 -6 2 2 38.46 1.22 2.3404 -2 2 4 38.65 1.72 2.3296 -4 2 4 38.69 3.88 2.3273 7 1 2 39.43 13.46 2.2854 9 1 0 39.95 1.07 2.2569 6 2 0 40.10 2.36 2.2487 10 0 0 41.26 2.36 2.1882 6 0 4 41.62 2.54 2.1698 -7 1 7 42.49 5.57 2.1274 -11 1 4 42.81 1.08 2.1122 -12 0 4 42.92 1.96 2.1070 -6 0 8 42.95 10.33 2.1058 -8 2 2 44.04 2.61 2.0560 -8 0 8 44.04 3.02 2.0560 -12 0 2 44.08 22.15 2.0544 0 2 5 44.84 2.39 2.0213 -11 1 1 45.33 2.96 2.0007 -11 1 6 45.51 2.33 1.9933 8 2 0 45.99 2.74 1.9733 -5 1 8 46.18 1.13 1.9659 4 0 6 46.26 1.89 1.9625 3 1 6 46.39 7.30 1.9574 -2 2 6 46.64 11.78 1.9474 -10 0 8 47.28 2.12 1.9225 11 1 0 47.30 7.12 1.9219 10 0 2 47.39 1.38 1.9185 1 1 7 47.45 1.43 1.9161 2 2 5 47.94 1.87 1.8977 -11 1 7 47.98 1.77 1.8959 8 2 1 48.20 5.61 1.8881 -8 2 6 48.20 14.54 1.8881 -10 2 3 48.67 1.23 1.8709 -10 2 2 48.71 5.86 1.8695 0 2 6 48.71 6.10 1.8694 6 2 3 48.72 3.29 1.8691 8 0 4 49.40 1.45 1.8447 -13 1 4 49.73 6.14 1.8335 -1 1 8 49.85 1.14 1.8294 -4 2 7 49.94 11.27 1.8263 -6 2 7 49.94 1.56 1.8263 -10 2 1 50.02 1.37 1.8236 -3 3 2 50.39 1.81 1.8109 -14 0 4 50.57 5.86 1.8051 1 3 2 50.99 6.80 1.7911 -13 1 6 50.99 1.65 1.7909 -13 1 2 51.16 3.45 1.7856 -2 2 7 51.23 1.58 1.7833 -11 1 8 51.26 2.59 1.7823 -3 3 3 51.32 8.10 1.7803 -1 3 3 51.42 2.07 1.7772 -8 2 7 51.47 1.33 1.7753 -14 0 6 51.59 2.09 1.7715 -10 2 6 51.63 2.81 1.7704 -5 1 9 51.96 1.43 1.7599 10 2 0 52.03 1.17 1.7578 4 2 5 52.09 4.26 1.7559 5 1 6 52.23 3.35 1.7513 3 1 7 52.32 2.70 1.7485 2 2 6 52.69 2.51 1.7373 6 0 6 52.91 1.25 1.7304 6 2 4 52.93 4.55 1.7299 -13 1 1 53.24 3.10 1.7204 -3 3 4 53.77 2.31 1.7048 -1 3 4 54.19 1.20 1.6926 11 1 2 54.20 14.07 1.6922 5 3 1 54.81 1.28 1.6749 -12 2 5 54.92 1.09 1.6718 -7 3 2 54.94 6.11 1.6712 8 2 3 55.17 1.44 1.6647 -7 3 3 55.24 1.91 1.6628 -8 2 8 55.24 2.12 1.6628 -12 2 2 55.56 1.04 1.6541 13 1 0 55.99 1.40 1.6423 -1 1 9 56.17 1.87 1.6376 -7 3 4 56.25 1.81 1.6353 -5 3 5 56.45 1.56 1.6300 5 3 2 56.71 3.42 1.6233 10 0 4 56.96 3.14 1.6168 -15 1 4 56.96 2.67 1.6166 -7 1 10 57.46 2.03 1.6037 -10 2 8 57.51 1.05 1.6025 -15 1 6 57.58 7.03 1.6007 -5 1 10 57.62 2.35 1.5998 2 2 7 57.87 2.46 1.5934 -7 3 5 58.47 6.76 1.5784 3 1 8 58.49 2.92 1.5781 -12 0 10 58.75 1.51 1.5716 7 1 6 58.86 3.12 1.5690 -15 1 7 59.28 6.69 1.5589 -15 1 2 59.55 1.90 1.5525 -11 1 10 60.51 3.01 1.5300 9 1 5 60.70 3.70 1.5257 -9 3 5 60.89 5.25 1.5214 -15 1 8 61.30 4.55 1.5122 -10 2 9 61.51 2.01 1.5075 -16 0 8 61.64 1.55 1.5046 9 3 0 62.65 1.79 1.4829 -13 1 10 62.66 3.88 1.4825 13 1 2 62.84 1.37 1.4788 -7 1 11 62.87 1.43 1.4783 5 3 4 63.30 1.02 1.4692 11 1 4 64.28 1.01 1.4491 15 1 0 64.35 1.70 1.4477 5 1 8 64.46 1.32 1.4456 -11 1 11 65.29 1.23 1.4291 6 0 8 66.39 1.04 1.4081 -18 0 6 66.41 2.02 1.4078 10 2 4 66.59 1.31 1.4043 -5 3 8 67.32 2.37 1.3908 -6 0 12 67.51 1.53 1.3874 -3 3 8 67.69 1.68 1.3842 1 3 7 67.76 1.30 1.3829 -16 2 5 67.96 1.59 1.3793 -4 4 1 68.14 1.44 1.3762 -14 2 9 68.97 1.25 1.3615 -16 2 3 70.16 2.76 1.3414 14 2 1 70.22 4.51 1.3405 -6 4 2 70.43 1.30 1.3369 -18 0 2 71.09 1.81 1.3261 7 1 8 71.14 1.96 1.3253 -5 3 9 71.64 2.83 1.3173 3 3 7 71.92 2.28 1.3128 13 1 4 72.22 2.63 1.3081 -13 3 1 72.32 1.75 1.3065 -2 0 12 73.47 1.02 1.2888 2 4 4 74.21 1.12 1.2779 0 4 5 74.30 1.01 1.2766 -2 2 11 74.62 1.40 1.2719 4 2 9 74.82 1.62 1.2690 -1 3 9 74.86 2.34 1.2684 -20 0 6 75.07 1.47 1.2653 -15 1 12 75.25 1.50 1.2628 -4 4 6 75.44 1.29 1.2601 -18 2 5 76.21 1.86 1.2493 18 0 0 76.70 2.06 1.2425 4 4 4 77.27 1.12 1.2348 -10 4 3 77.31 2.75 1.2342 -15 3 7 77.83 1.09 1.2272 -3 3 10 78.77 1.12 1.2150 9 3 5 81.57 1.52 1.1801 2 0 12 81.76 1.08 1.1779 -10 2 13 82.11 1.53 1.1738 -6 4 8 82.73 1.10 1.1666 10 2 7 82.90 1.69 1.1646 -6 2 13 85.22 1.32 1.1387 10 4 2 85.42 1.41 1.1366 -20 0 12 87.69 2.09 1.1129 1 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.