Geminite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070434 Prencipe M, Pushcharovsky D Y, Sarp H, Ferraris G Moscow University Geology Bulletin 51 (1996) 51-58 Comparative crystal chemistry of geminite Cu[AsO3OH]H2O and related minerals Locality: Salsigne mine, Carrassonne, Aude, France _database_code_amcsd 0014670 CELL PARAMETERS: 6.4120 8.0570 15.6150 87.260 84.170 84.340 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) As 0.40950 0.44010 0.39740 1.000 0.869 As 0.36170 0.36110 0.08850 1.000 0.869 As 0.10970 0.14950 0.59230 1.000 0.869 As 0.14530 0.02940 0.89570 1.000 0.711 Cu 0.13570 0.63790 0.95890 1.000 1.026 Cu 0.38760 0.85370 0.45330 1.000 1.105 Cu -0.11340 0.40600 0.43980 1.000 1.105 Cu 0.64250 0.08880 -0.06560 1.000 0.869 O 0.47530 0.62150 0.35490 1.000 1.579 O 0.59360 -0.65600 0.45520 1.000 1.105 O 0.17480 0.44630 0.45530 1.000 1.421 O 0.39880 0.47820 0.16810 1.000 1.263 O 0.57830 0.32550 0.02180 1.000 0.947 O 0.15650 0.42920 0.03230 1.000 1.105 O -0.08580 0.18250 0.53110 1.000 1.026 O 0.33330 0.08710 0.53590 1.000 1.500 O 0.05160 0.01860 0.67670 1.000 1.421 O 0.10230 -0.16890 0.87700 1.000 0.869 O -0.07210 0.13990 0.93830 1.000 1.105 O 0.34470 0.04580 0.95430 1.000 0.632 OH 0.40210 0.31260 0.31400 1.000 1.421 OH 0.29280 0.17640 0.13770 1.000 1.263 OH 0.85070 -0.33490 0.36300 1.000 1.026 OH 0.22180 0.12450 0.79980 1.000 1.500 Wa 0.18060 0.49450 0.81690 1.000 2.132 Wa 0.37080 0.97950 0.33880 1.000 1.263 Wa -0.06300 0.31490 0.32470 1.000 1.579 Wa 0.64110 0.19490 -0.17880 1.000 1.263 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 7 +/- 14 MAX. ABS. INTENSITY / VOLUME**2: 47.31917972 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.40 100.00 7.7615 0 0 2 12.24 3.54 7.2329 0 1 1 12.63 3.59 7.0113 0 -1 1 15.59 3.47 5.6841 0 1 2 16.20 1.88 5.4712 0 -1 2 16.98 1.04 5.2223 1 1 0 17.34 1.23 5.1147 1 1 1 21.39 1.25 4.1537 1 -1 2 22.19 3.79 4.0059 0 2 0 22.39 5.77 3.9711 -1 1 2 22.71 15.94 3.9152 0 2 1 22.89 1.35 3.8853 1 1 3 22.92 7.21 3.8807 0 0 4 23.14 9.11 3.8435 0 -2 1 25.11 3.77 3.5461 0 1 4 25.29 1.52 3.5215 1 2 1 25.89 1.52 3.4414 0 -1 4 27.64 22.69 3.2278 0 2 3 28.13 6.20 3.1721 2 0 1 28.70 20.74 3.1106 0 -2 3 28.94 7.73 3.0856 1 -1 4 29.25 24.62 3.0529 -2 0 1 29.58 2.68 3.0202 1 -2 2 29.99 3.03 2.9797 -1 2 2 30.44 7.31 2.9369 -1 1 4 30.45 1.19 2.9353 -2 -1 1 30.48 2.47 2.9328 0 1 5 31.29 2.36 2.8583 0 -1 5 31.59 20.51 2.8321 2 0 3 33.84 3.18 2.6489 0 3 1 34.29 2.37 2.6153 0 -3 1 34.34 11.47 2.6112 2 2 0 34.55 7.46 2.5959 -2 0 3 34.67 2.46 2.5872 0 0 6 35.09 3.64 2.5574 2 2 2 35.91 7.61 2.5006 0 2 5 36.77 1.83 2.4440 1 2 5 37.30 1.54 2.4110 0 3 3 37.32 7.29 2.4098 0 -2 5 37.48 1.06 2.3999 -2 -2 2 37.78 6.13 2.3813 -2 2 0 38.52 2.87 2.3371 0 -3 3 38.76 1.71 2.3230 1 -1 6 39.00 2.69 2.3095 2 -2 2 40.28 1.35 2.2390 -1 -2 5 42.59 4.36 2.1229 1 1 7 43.16 1.29 2.0960 3 1 0 43.87 2.37 2.0639 0 3 5 45.27 2.35 2.0030 0 4 0 45.65 1.10 1.9875 0 -3 5 45.69 1.04 1.9856 -2 2 4 46.12 4.05 1.9682 -1 -1 7 46.33 3.83 1.9598 2 3 4 46.38 1.23 1.9576 0 4 2 46.76 1.16 1.9427 2 2 6 46.82 1.69 1.9404 0 0 8 46.95 1.48 1.9354 1 4 2 47.03 1.23 1.9322 3 1 4 47.30 1.86 1.9218 0 -4 2 48.08 1.18 1.8925 1 -3 5 48.38 1.30 1.8815 -2 3 2 48.58 1.02 1.8742 -1 -4 2 50.55 2.26 1.8056 -2 -3 4 50.78 1.13 1.7978 2 -2 6 51.68 1.81 1.7689 2 -3 4 51.73 1.23 1.7672 -3 -1 4 51.76 1.62 1.7661 -1 1 8 52.33 1.53 1.7483 -2 -2 6 53.13 1.06 1.7239 -2 3 4 53.24 1.12 1.7207 3 1 6 53.60 1.32 1.7097 -2 2 6 56.37 1.00 1.6322 -2 -4 3 56.63 1.41 1.6253 1 -3 7 56.77 2.03 1.6217 -3 1 5 56.78 1.01 1.6213 -1 3 7 58.10 4.45 1.5876 4 0 0 58.17 3.66 1.5860 4 0 2 58.36 1.96 1.5813 0 5 2 59.63 2.22 1.5504 3 -1 7 61.46 1.39 1.5087 4 2 3 61.72 1.09 1.5030 -4 -2 1 61.93 2.39 1.4983 1 -1 10 62.18 1.49 1.4929 2 5 1 63.26 1.60 1.4701 -2 -5 1 63.67 1.69 1.4615 0 -5 4 64.02 1.45 1.4544 -1 1 10 65.30 1.08 1.4290 3 4 5 65.35 1.18 1.4279 -3 1 7 65.63 1.02 1.4226 -4 -2 3 66.03 1.41 1.4148 -4 2 1 66.52 1.42 1.4057 4 -2 3 68.21 1.25 1.3749 2 -5 1 69.42 1.09 1.3538 -3 -1 8 69.46 1.16 1.3532 -4 2 3 70.40 1.14 1.3374 4 -2 5 71.70 1.40 1.3163 3 1 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.