Chlorbartonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070369 Yakovenchuk V N, Pakhomovsky Y A, Men'shikov Y P, Ivanyuk G Y, Krivovichev S V, Burns P C The Canadian Mineralogist 41 (2003) 503-511 Chlorbartonite, K6Fe24S26(Cl,S), a new mineral species from a hydrothermal vein in the Khibina Massif, Kola Peninsula, Russia: Description and crystal structure Locality: Khibina Massif, Kola Peninsula, Russia CELL PARAMETERS: 10.3690 10.3690 20.6020 90.000 90.000 90.000 SPACE GROUP: I4/mmm ATOM X Y Z OCCUPANCY ISO(B) K 0.29581 0.00000 0.00000 1.000 1.840 K 0.00000 0.00000 0.15318 1.000 1.855 Fe 0.13076 0.36801 0.18394 1.000 1.255 Fe 0.36856 0.36856 0.06625 1.000 1.271 S 0.22763 0.22763 0.11387 1.000 1.263 S 0.00000 0.24716 0.25142 1.000 1.248 S 0.24677 0.50000 0.00000 1.000 1.240 S 0.00000 0.50000 0.12252 1.000 1.248 S 0.00000 0.00000 0.37261 1.000 1.271 Cl 0.00000 0.00000 0.00000 1.000 1.713 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 18 MAX. ABS. INTENSITY / VOLUME**2: 21.78380899 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.58 28.58 10.3010 0 0 2 9.55 86.26 9.2621 1 0 1 12.07 19.85 7.3320 1 1 0 14.83 87.32 5.9734 1 1 2 15.48 7.83 5.7255 1 0 3 23.23 7.66 3.8291 1 0 5 25.95 5.52 3.4337 0 0 6 26.14 18.81 3.4087 3 0 1 27.20 13.28 3.2790 3 1 0 28.57 47.93 3.1245 3 1 2 28.71 22.17 3.1096 1 1 6 28.92 6.89 3.0874 3 0 3 28.99 1.64 3.0801 2 1 5 29.92 98.37 2.9867 2 2 4 31.24 3.02 2.8627 2 0 6 31.41 3.64 2.8482 3 2 1 31.60 11.98 2.8313 1 0 7 34.60 4.11 2.5923 4 0 0 34.84 2.21 2.5752 0 0 8 35.72 6.58 2.5139 4 0 2 35.98 9.61 2.4963 4 1 1 37.00 1.30 2.4297 1 1 8 37.83 26.65 2.3780 3 3 2 37.94 57.78 2.3714 3 1 6 38.84 1.36 2.3186 4 2 0 38.89 1.71 2.3155 4 0 4 39.05 1.03 2.3064 2 0 8 40.25 2.81 2.2408 3 0 7 40.35 1.89 2.2353 1 0 9 42.09 1.74 2.1466 4 1 5 43.76 4.47 2.0689 4 0 6 43.88 3.30 2.0634 5 0 1 43.88 7.50 2.0634 4 3 1 43.95 1.30 2.0602 0 0 10 44.02 1.44 2.0569 3 2 7 44.75 3.39 2.0253 3 1 8 45.46 11.88 1.9950 5 1 2 45.56 5.67 1.9911 3 3 6 45.75 5.59 1.9834 1 1 10 47.31 1.41 1.9215 4 2 6 47.42 1.36 1.9171 5 2 1 47.56 3.91 1.9119 4 1 7 47.65 3.95 1.9085 3 0 9 49.19 1.49 1.8524 5 0 5 49.19 4.93 1.8524 4 3 5 49.74 51.76 1.8330 4 4 0 49.92 100.00 1.8270 4 0 8 50.58 2.17 1.8046 4 4 2 51.38 1.05 1.7783 5 3 0 51.55 2.92 1.7728 3 3 8 52.20 4.79 1.7523 5 3 2 52.28 5.53 1.7497 5 1 6 52.45 4.27 1.7444 3 1 10 52.46 1.03 1.7444 5 2 5 52.99 2.38 1.7282 6 0 0 53.36 1.48 1.7168 0 0 12 54.10 4.81 1.6952 4 3 7 54.18 3.55 1.6928 4 1 9 56.95 1.16 1.6170 4 4 6 57.77 1.55 1.5959 5 1 8 58.45 3.00 1.5791 5 3 6 58.57 1.41 1.5761 5 4 3 58.60 1.48 1.5752 3 3 10 59.14 13.26 1.5622 6 2 4 59.45 6.13 1.5548 2 2 12 59.92 1.07 1.5437 6 0 6 60.02 1.58 1.5414 6 3 1 60.91 1.05 1.5210 3 1 12 62.16 2.31 1.4933 4 4 8 62.90 1.68 1.4775 7 0 1 63.09 1.03 1.4735 5 2 9 64.15 5.97 1.4518 7 1 2 64.60 3.07 1.4428 1 1 14 64.71 1.98 1.4406 3 0 13 65.72 1.03 1.4209 7 2 1 67.15 1.74 1.3939 7 0 5 68.97 1.78 1.3615 7 3 0 69.66 2.61 1.3498 7 3 2 69.73 2.50 1.3486 7 1 6 69.73 1.12 1.3486 5 5 6 69.87 2.30 1.3462 5 3 10 70.09 2.70 1.3426 3 1 14 71.27 1.02 1.3232 7 0 7 72.99 10.83 1.2961 8 0 0 73.56 5.05 1.2876 0 0 16 73.82 1.21 1.2836 8 1 1 75.05 8.32 1.2656 7 3 6 75.40 3.99 1.2607 3 3 14 75.77 1.85 1.2555 6 4 8 75.94 1.29 1.2530 4 4 12 80.17 1.47 1.1972 7 5 2 80.38 1.39 1.1947 7 1 10 80.58 1.50 1.1922 5 1 14 80.84 1.67 1.1890 6 6 4 81.11 3.11 1.1857 6 2 12 85.35 2.69 1.1373 7 5 6 85.48 2.28 1.1359 7 3 10 85.69 2.55 1.1337 5 3 14 86.87 1.72 1.1213 7 4 9 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.