Umangite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern Heyding R D, Murray R M Canadian Journal of Chemistry 54 (1976) 841-848 Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma=CuSe, CuSe2, and CuSe2II Locality: Beaverlodge Region, Saskatchewan, Canada CELL PARAMETERS: 6.407992 6.407992 4.282792 90.00000 90.00000 90.00000 SPACE GROUP: P-42_1m ATOM X Y Z OCCUPANCY ISO(B) Cu 0.00000 0.00000 0.00000 1.000 2.300 Cu 0.64700 0.85300 0.21900 1.000 2.300 Se 0.27200 0.77200 0.26400 1.000 1.900 X-RAY WAVELENGTH: 0.710730 BOUNDS ON TWO THETA: 0.0 50.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 285.7728285 The INTENSITY cut off value is 0.10 2-THETA INTENSITY D-SPACING H K L 9.01 2.07 4.5311 1 1 0 9.53 24.15 4.2828 0 0 1 11.46 97.78 3.5607 1 0 1 12.74 51.82 3.2040 2 0 0 13.11 53.97 3.1125 1 1 1 14.25 19.78 2.8657 2 1 0 15.92 20.67 2.5655 2 0 1 17.16 14.44 2.3817 2 1 1 18.04 64.70 2.2656 2 2 0 19.09 24.46 2.1414 0 0 2 20.14 1.31 2.0310 1 0 2 20.19 41.23 2.0264 3 1 0 20.43 26.39 2.0026 2 2 1 21.14 25.80 1.9361 1 1 2 21.41 51.00 1.9115 3 0 1 22.36 100.00 1.8317 3 1 1 23.01 72.16 1.7804 2 0 2 23.05 8.45 1.7773 3 2 0 23.89 5.32 1.7154 2 1 2 24.98 15.25 1.6415 3 2 1 25.61 3.17 1.6020 4 0 0 26.37 7.20 1.5562 2 2 2 26.41 0.58 1.5542 4 1 0 27.15 0.73 1.5123 3 0 2 27.19 1.67 1.5104 3 3 0 27.37 0.59 1.5005 4 0 1 27.91 0.29 1.4719 3 1 2 28.13 2.60 1.4609 4 1 1 28.69 0.72 1.4329 4 2 0 28.80 0.15 1.4276 0 0 3 28.86 7.71 1.4244 3 3 1 29.52 3.22 1.3934 1 0 3 30.09 5.28 1.3676 3 2 2 30.22 6.02 1.3616 1 1 3 30.29 6.37 1.3588 4 2 1 31.59 0.55 1.3040 2 0 3 32.13 0.18 1.2828 4 0 2 32.16 3.15 1.2816 4 3 0 32.26 3.33 1.2778 2 1 3 32.78 1.11 1.2578 4 1 2 32.81 0.83 1.2567 5 1 0 33.43 9.15 1.2343 3 3 2 33.61 2.11 1.2278 5 0 1 33.61 0.81 1.2278 4 3 1 34.18 3.69 1.2078 2 2 3 34.24 23.88 1.2059 5 1 1 34.68 12.22 1.1909 4 2 2 34.71 4.90 1.1899 5 2 0 34.80 5.30 1.1869 3 0 3 35.41 11.80 1.1671 3 1 3 36.07 3.47 1.1465 5 2 1 36.52 5.92 1.1328 4 4 0 37.19 2.35 1.1130 3 2 3 37.66 3.39 1.0997 4 3 2 37.68 1.19 1.0990 5 3 0 37.82 0.63 1.0951 4 4 1 38.23 1.26 1.0839 5 1 2 38.72 2.75 1.0707 0 0 4 38.90 2.77 1.0658 4 0 3 38.95 1.99 1.0645 5 3 1 39.27 0.20 1.0561 1 0 4 39.37 3.84 1.0535 6 1 0 39.46 0.78 1.0514 4 1 3 39.82 1.32 1.0420 1 1 4 39.90 4.11 1.0401 5 2 2 40.00 2.73 1.0375 3 3 3 40.05 0.75 1.0363 6 0 1 40.60 0.25 1.0230 6 1 1 40.91 1.19 1.0155 2 0 4 41.01 1.84 1.0132 6 2 0 41.09 0.14 1.0113 4 2 3 41.51 1.65 1.0013 4 4 2 41.54 1.38 1.0008 5 4 0 42.19 2.07 0.9860 6 2 1 42.56 0.29 0.9777 5 3 2 42.71 1.41 0.9745 5 4 1 43.01 3.43 0.9680 2 2 4 43.52 0.17 0.9572 3 0 4 43.59 0.52 0.9557 6 0 2 43.61 0.45 0.9552 6 3 0 43.69 0.55 0.9537 5 0 3 44.03 1.60 0.9467 3 1 4 44.10 3.80 0.9453 6 1 2 44.20 4.95 0.9433 5 1 3 44.74 0.13 0.9323 6 3 1 45.53 0.45 0.9171 3 2 4 45.59 0.13 0.9159 6 2 2 45.69 1.15 0.9140 5 2 3 46.08 1.36 0.9066 5 4 2 46.98 0.61 0.8902 4 0 4 47.07 0.49 0.8886 6 4 0 47.19 0.16 0.8866 5 5 1 47.19 1.09 0.8866 7 1 1 47.46 0.35 0.8817 4 1 4 47.94 0.18 0.8735 3 3 4 48.00 0.63 0.8724 6 3 2 48.09 0.83 0.8708 5 3 3 48.14 0.93 0.8701 6 4 1 48.61 0.70 0.8622 7 2 1 48.88 0.34 0.8577 4 2 4 49.41 0.10 0.8490 1 0 5 49.86 0.12 0.8417 7 0 2 49.86 0.12 0.8417 7 0 2 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.