Roxbyite Mumme W G, Gable R W, Petricek V The Canadian Mineralogist 50 (2012) 423-430 The crystal structure of roxbyite, Cu58S32 Locality: Olympic Dam, Roxby Downs, Australia _database_code_amcsd 0019199 CELL PARAMETERS: 13.4090 13.4051 15.4852 90.022 90.021 90.020 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 2783.448 Density (g/cm3): 5.621 MAX. ABS. INTENSITY / VOLUME**2: 23.82911440 RIR: 1.380 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.72 10.66 10.1386 -1 0 1 2 8.72 1.21 10.1349 1 0 1 2 9.33 1.18 9.4786 1 1 0 2 10.94 2.79 8.0863 -1 1 1 2 10.94 1.80 8.0862 -1 -1 1 2 10.95 2.54 8.0824 1 1 1 2 13.20 1.96 6.7057 0 -1 2 2 13.21 2.40 6.7025 0 2 0 2 14.77 3.34 5.9971 -1 1 2 2 14.78 2.43 5.9948 1 1 2 2 14.78 1.99 5.9945 1 2 0 2 15.85 1.29 5.5927 -2 1 1 2 18.72 1.60 4.7411 1 -2 2 2 18.72 4.81 4.7411 -1 -2 2 2 18.72 2.11 4.7403 -1 2 2 2 18.72 1.86 4.7393 2 1 2 2 19.58 3.04 4.5335 1 -1 3 2 20.69 3.43 4.2939 3 0 1 2 20.95 3.68 4.2406 -3 1 0 2 20.95 7.17 4.2396 -1 3 0 2 21.74 1.38 4.0888 -1 -3 1 2 21.74 1.42 4.0878 1 3 1 2 22.73 2.67 3.9123 1 -2 3 2 22.73 2.13 3.9116 -1 2 3 2 24.84 5.53 3.5846 -1 -1 4 2 24.84 4.95 3.5841 1 -1 4 2 24.84 1.26 3.5841 -1 1 4 2 24.85 4.05 3.5832 1 1 4 2 25.51 1.40 3.4919 -2 -2 3 2 25.51 1.63 3.4917 2 -2 3 2 26.38 1.27 3.3783 3 0 3 2 26.58 2.48 3.3531 -2 0 4 2 26.59 2.10 3.3529 0 -2 4 2 26.59 7.26 3.3524 2 -3 2 2 26.59 5.32 3.3522 4 0 0 2 26.59 6.01 3.3521 -2 3 2 2 26.59 10.56 3.3520 -2 -3 2 2 26.59 2.45 3.3520 2 0 4 2 26.60 1.22 3.3513 0 4 0 2 26.60 1.29 3.3510 3 2 2 2 26.60 5.16 3.3507 2 3 2 2 27.21 1.86 3.2770 -3 -1 3 2 27.22 1.80 3.2766 -4 0 1 2 27.22 1.17 3.2763 3 -1 3 2 27.22 1.39 3.2761 4 0 1 2 27.22 1.60 3.2757 0 -4 1 2 27.23 1.04 3.2755 3 1 3 2 28.04 2.05 3.1827 -4 -1 1 2 28.04 3.00 3.1819 -1 -4 1 2 28.05 8.05 3.1813 1 4 1 2 28.24 1.94 3.1606 -3 3 0 2 28.25 1.59 3.1595 3 3 0 2 28.83 1.53 3.0968 3 -3 1 2 28.83 1.61 3.0968 -3 3 1 2 28.84 1.37 3.0954 3 3 1 2 29.60 1.70 3.0175 2 -3 3 2 29.61 2.46 3.0171 -2 3 3 2 29.79 3.01 2.9988 -4 1 2 2 29.80 4.42 2.9986 -4 -1 2 2 29.80 2.33 2.9983 4 -1 2 2 29.80 5.69 2.9982 1 -4 2 2 29.80 4.89 2.9981 -2 4 0 2 29.80 9.78 2.9978 4 2 0 2 29.80 5.23 2.9977 4 1 2 2 29.81 3.36 2.9976 -1 4 2 2 30.36 1.47 2.9440 1 -1 5 2 30.36 1.56 2.9440 -1 1 5 2 30.37 5.30 2.9429 -2 -4 1 2 30.38 2.10 2.9423 2 4 1 2 31.28 4.07 2.8595 -3 -1 4 2 31.28 22.12 2.8592 -1 -3 4 2 31.28 6.33 2.8591 1 -3 4 2 31.29 9.36 2.8584 -1 3 4 2 31.30 7.05 2.8581 3 1 4 2 31.30 17.21 2.8578 1 3 4 2 31.83 4.12 2.8118 0 -2 5 2 31.83 3.78 2.8110 0 2 5 2 32.54 1.65 2.7519 -4 -1 3 2 32.54 5.28 2.7519 1 -2 5 2 32.54 4.66 2.7515 -1 2 5 2 32.55 1.82 2.7509 1 2 5 2 32.55 1.93 2.7508 4 1 3 2 33.24 1.29 2.6955 3 -3 3 2 33.24 2.35 2.6954 -3 3 3 2 33.25 1.41 2.6941 3 3 3 2 33.92 1.00 2.6427 -4 3 1 2 33.92 2.10 2.6426 -5 0 1 2 33.92 1.15 2.6426 4 -3 1 2 33.93 3.52 2.6423 5 0 1 2 33.93 2.60 2.6419 0 -5 1 2 33.94 2.70 2.6415 0 5 1 2 33.94 1.93 2.6413 3 4 1 2 34.09 1.04 2.6299 -5 1 0 2 34.10 36.10 2.6295 5 1 0 2 34.10 15.45 2.6292 -1 5 0 2 34.11 2.57 2.6288 1 5 0 2 34.59 6.51 2.5928 2 -2 5 2 34.59 7.16 2.5928 -2 2 5 2 34.60 1.61 2.5926 -5 -1 1 2 34.60 1.27 2.5923 -2 4 3 2 34.60 2.89 2.5922 5 1 1 2 34.61 1.01 2.5919 -1 -5 1 2 34.61 1.07 2.5915 1 5 1 2 35.41 2.50 2.5347 -4 0 4 2 35.42 3.59 2.5344 -5 0 2 2 35.42 6.49 2.5343 0 -4 4 2 35.43 4.29 2.5338 5 0 2 2 35.43 1.82 2.5337 4 0 4 2 35.43 5.65 2.5333 0 4 4 2 35.44 1.19 2.5329 3 4 2 2 35.90 1.19 2.5012 -1 -3 5 2 36.71 7.01 2.4484 -3 -3 4 2 36.72 8.97 2.4471 3 3 4 2 37.80 1.23 2.3801 -2 -3 5 2 37.80 5.57 2.3801 -3 2 5 2 37.80 4.84 2.3798 3 -2 5 2 37.81 1.26 2.3796 0 -5 3 2 37.95 4.15 2.3710 -2 -1 6 2 37.95 4.57 2.3709 -1 -2 6 2 37.95 18.70 2.3708 -4 2 4 2 37.95 2.13 2.3708 -2 1 6 2 37.95 6.74 2.3708 -4 -2 4 2 37.96 3.59 2.3706 2 -4 4 2 37.96 2.08 2.3705 -2 -4 4 2 37.96 1.38 2.3705 2 -1 6 2 37.96 11.70 2.3705 -4 4 0 2 37.96 21.60 2.3704 4 -2 4 2 37.96 3.64 2.3703 2 -5 2 2 37.96 3.19 2.3702 -2 4 4 2 37.96 7.26 2.3701 2 1 6 2 37.96 6.11 2.3701 1 2 6 2 37.97 1.99 2.3700 -2 5 2 2 37.97 5.14 2.3696 4 4 0 2 37.97 3.38 2.3696 4 2 4 2 37.98 2.00 2.3694 2 4 4 2 38.43 2.69 2.3425 -1 5 3 2 39.17 2.30 2.2998 -5 3 0 2 39.18 6.70 2.2995 -3 5 0 2 39.62 1.14 2.2749 -5 3 1 2 40.21 3.23 2.2426 2 -5 3 2 40.22 2.05 2.2423 -2 5 3 2 40.35 2.10 2.2352 0 -3 6 2 40.36 3.56 2.2345 0 3 6 2 40.37 1.58 2.2342 0 6 0 2 40.79 1.94 2.2120 -6 0 1 2 41.37 1.24 2.1824 -6 -1 1 2 41.51 1.75 2.1757 -5 1 4 2 41.51 2.14 2.1753 1 -5 4 2 41.53 2.60 2.1747 -1 5 4 2 41.93 2.38 2.1545 -1 -1 7 2 41.93 2.35 2.1545 -4 2 5 2 41.94 2.71 2.1541 4 -2 5 2 41.94 1.47 2.1540 1 1 7 2 42.63 1.02 2.1207 -3 -2 6 2 42.64 1.44 2.1204 2 -3 6 2 42.65 1.40 2.1199 6 2 0 2 42.66 2.18 2.1194 2 6 0 2 43.60 1.20 2.0757 -2 -1 7 2 43.62 1.84 2.0751 2 1 7 2 44.71 1.17 2.0270 -1 -6 3 2 44.84 1.06 2.0211 -4 -5 2 2 45.23 1.07 2.0050 -2 -2 7 2 45.23 1.07 2.0047 -2 2 7 2 45.76 1.34 1.9829 -3 0 7 2 45.77 2.00 1.9823 3 0 7 2 45.90 2.53 1.9770 -3 -5 4 2 45.92 1.44 1.9761 3 5 4 2 46.32 1.11 1.9602 2 6 3 2 46.94 1.09 1.9357 -6 3 2 2 46.94 32.45 1.9356 0 0 8 2 46.95 32.55 1.9354 0 -6 4 2 46.95 1.07 1.9352 6 0 4 2 46.96 1.13 1.9348 6 3 2 2 46.96 32.54 1.9347 0 6 4 2 47.97 2.23 1.8964 -7 1 0 2 47.97 2.95 1.8964 -5 5 0 2 47.97 1.13 1.8963 1 1 8 2 47.99 2.65 1.8959 -1 7 0 2 47.99 3.00 1.8957 1 7 0 2 48.98 2.86 1.8599 -2 0 8 2 48.98 1.53 1.8599 -4 -3 6 2 48.98 17.26 1.8598 -6 2 4 2 48.98 12.20 1.8597 -6 -2 4 2 48.98 17.88 1.8596 -6 4 0 2 48.99 1.87 1.8595 2 0 8 2 48.99 15.69 1.8595 6 -2 4 2 48.99 2.47 1.8594 -4 6 0 2 48.99 1.55 1.8594 -2 -6 4 2 49.00 19.94 1.8590 6 4 0 2 49.00 12.78 1.8590 6 2 4 2 49.00 2.23 1.8589 4 3 6 2 49.01 1.66 1.8586 2 6 4 2 50.95 2.13 1.7922 -5 -2 6 2 50.95 1.68 1.7922 -5 2 6 2 50.98 1.23 1.7914 5 2 6 2 51.94 2.85 1.7605 -3 7 0 2 52.29 1.20 1.7494 6 -2 5 2 54.75 4.24 1.6765 -4 0 8 2 54.76 1.79 1.6762 4 -6 4 2 54.77 4.72 1.6761 8 0 0 2 54.77 1.79 1.6760 -4 6 4 2 54.77 7.19 1.6760 -4 -6 4 2 54.77 4.64 1.6760 4 0 8 2 54.79 8.15 1.6753 4 6 4 2 56.59 1.85 1.6263 2 -4 8 2 56.60 2.17 1.6262 4 -5 6 2 56.60 2.36 1.6261 -4 5 6 2 56.60 3.14 1.6260 -2 4 8 2 58.40 1.41 1.5803 -6 6 0 2 59.27 1.64 1.5592 -5 -1 8 2 61.88 1.54 1.4995 -4 -4 8 2 61.89 1.53 1.4993 -8 -2 4 2 61.90 3.46 1.4990 -4 8 0 2 61.91 1.70 1.4988 8 2 4 2 61.91 2.05 1.4987 4 4 8 2 62.74 1.03 1.4809 3 -5 8 2 62.75 1.30 1.4807 -3 5 8 2 62.77 1.42 1.4803 1 9 0 2 64.45 2.66 1.4458 -5 -7 4 2 64.47 2.33 1.4452 5 7 4 2 67.76 1.20 1.3829 9 -1 4 2 70.17 1.61 1.3411 -6 -4 8 2 70.22 1.39 1.3405 6 4 8 2 72.61 1.49 1.3021 9 5 0 2 74.93 1.94 1.2673 -8 0 8 2 74.95 2.63 1.2671 -8 6 4 2 74.95 2.52 1.2671 8 -6 4 2 74.96 1.27 1.2669 -8 -6 4 2 74.97 1.45 1.2669 8 0 8 2 77.30 1.03 1.2343 -5 9 4 2 87.23 1.27 1.1176 0 -6 12 2 87.25 3.84 1.1174 12 0 0 2 87.26 1.62 1.1172 0 6 12 2 88.80 1.07 1.1018 2 12 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.