Philipsburgite Krivovichev S V, Zhitova E S, Ismagilova R M, Zolotarev A A Physics and Chemistry of Minerals 45 (2018) 917-923 Site-selective As-P substitution and hydrogen bonding in the crystal structure of philipsburgite, Cu5Zn((As,P)O4)2(OH)6*H2O Note: T = 100 K Locality: Middle Pit, Gold Hill mine, Tooele Co., Utah, USA _database_code_amcsd 0020989 CELL PARAMETERS: 12.3850 9.2610 10.7700 90.000 97.100 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1225.820 Density (g/cm3): 4.143 MAX. ABS. INTENSITY / VOLUME**2: 26.02490582 RIR: 2.045 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.19 42.26 12.2900 1 0 0 2 11.97 2.01 7.3962 1 1 0 4 12.65 4.37 6.9989 0 1 1 4 14.05 13.79 6.3053 -1 1 1 4 14.41 14.36 6.1450 2 0 0 2 15.07 5.95 5.8806 1 1 1 4 16.59 1.17 5.3437 0 0 2 2 17.32 8.89 5.1203 2 1 0 4 18.91 2.73 4.6930 1 0 2 2 19.17 1.39 4.6305 0 2 0 2 19.18 2.10 4.6285 0 1 2 4 20.50 8.41 4.3331 1 2 0 4 20.63 11.02 4.3044 -2 0 2 2 20.91 5.22 4.2488 0 2 1 4 21.22 1.20 4.1862 1 1 2 4 21.69 96.49 4.0967 3 0 0 2 21.79 1.72 4.0780 -1 2 1 4 22.78 2.44 3.9033 -2 1 2 4 23.37 6.77 3.8061 2 0 2 2 23.75 6.72 3.7465 3 1 0 4 24.27 1.08 3.6673 -3 1 1 4 24.89 21.63 3.5780 -2 2 1 4 25.30 5.37 3.5204 2 1 2 4 25.45 2.24 3.4994 0 2 2 4 25.71 10.11 3.4645 -3 0 2 2 25.90 4.51 3.4398 -1 2 2 4 26.08 12.44 3.4171 2 2 1 4 26.08 19.83 3.4170 3 1 1 4 26.81 3.70 3.3250 0 1 3 4 26.96 7.16 3.3072 -1 1 3 4 27.49 5.81 3.2449 -3 1 2 4 28.31 3.47 3.1526 -2 2 2 4 28.61 3.12 3.1201 1 1 3 4 29.06 2.40 3.0730 3 0 2 2 30.40 2.19 2.9403 2 2 2 4 30.65 1.73 2.9166 3 1 2 4 30.82 10.90 2.9011 -4 1 1 4 31.06 5.44 2.8793 3 2 1 4 31.27 1.94 2.8607 1 3 1 4 32.67 2.12 2.7410 -3 1 3 4 32.77 1.15 2.7331 4 1 1 4 33.09 1.26 2.7076 -2 3 1 4 33.23 3.13 2.6963 -4 1 2 4 33.25 1.58 2.6948 1 2 3 4 33.43 32.59 2.6806 -1 0 4 2 33.53 5.89 2.6730 0 3 2 4 33.61 6.43 2.6667 -2 2 3 4 34.78 100.00 2.5791 1 3 2 4 34.92 12.33 2.5691 -2 0 4 2 35.05 3.58 2.5604 3 2 2 4 35.05 1.35 2.5602 4 2 0 4 35.19 3.61 2.5499 -4 2 1 4 35.46 1.86 2.5318 4 0 2 2 35.80 18.21 2.5086 -2 3 2 4 36.29 1.61 2.4756 -2 1 4 4 36.44 6.30 2.4654 3 3 0 4 36.60 1.49 2.4552 1 1 4 4 36.72 9.30 2.4472 3 1 3 4 37.35 8.80 2.4075 -4 2 2 4 37.80 2.25 2.3802 -5 1 1 4 37.86 5.38 2.3764 -3 0 4 2 37.87 6.77 2.3758 5 1 0 4 38.36 13.19 2.3465 2 0 4 2 38.37 2.47 2.3459 -5 0 2 2 39.08 1.29 2.3048 -3 3 2 4 39.14 6.41 2.3018 -3 1 4 4 39.62 1.07 2.2746 2 1 4 4 41.25 7.96 2.1886 -4 2 3 4 41.46 13.72 2.1779 3 3 2 4 41.47 1.21 2.1777 4 3 0 4 41.53 2.30 2.1744 -5 2 1 4 41.69 1.15 2.1666 2 4 0 4 41.98 11.54 2.1522 -4 0 4 2 42.20 3.82 2.1416 -2 4 1 4 42.62 1.25 2.1212 3 0 4 2 42.77 1.90 2.1142 -3 2 4 4 42.95 1.53 2.1056 2 4 1 4 43.17 2.16 2.0955 -5 1 3 4 43.43 5.58 2.0837 5 2 1 4 43.48 2.16 2.0814 -4 3 2 4 44.22 1.04 2.0483 6 0 0 2 44.43 2.63 2.0390 -2 4 2 4 44.78 1.19 2.0240 -1 3 4 4 45.01 1.28 2.0139 1 1 5 4 45.72 3.02 1.9844 4 2 3 4 45.96 1.44 1.9747 -2 3 4 4 46.38 19.87 1.9576 4 3 2 4 46.47 1.46 1.9541 -3 1 5 4 48.29 2.52 1.8846 1 2 5 4 48.75 1.18 1.8681 2 3 4 4 48.76 3.13 1.8678 -5 3 2 4 48.86 1.66 1.8641 4 1 4 4 49.28 1.21 1.8492 3 4 2 4 49.50 1.09 1.8414 -6 1 3 4 50.40 3.30 1.8106 6 2 1 4 51.03 1.04 1.7896 4 3 3 4 51.05 4.87 1.7890 -4 4 2 4 51.78 1.71 1.7655 -4 3 4 4 51.97 1.54 1.7596 -2 5 1 4 52.08 5.51 1.7560 5 3 2 4 52.09 1.28 1.7557 7 0 0 2 52.33 2.43 1.7482 3 3 4 4 52.85 6.55 1.7323 -6 0 4 2 52.90 1.33 1.7308 -4 2 5 4 53.50 1.00 1.7128 -3 0 6 2 53.64 3.22 1.7085 6 2 2 4 53.70 1.62 1.7069 5 0 4 2 53.84 6.02 1.7027 -6 1 4 4 55.33 1.83 1.6605 6 1 3 4 55.56 1.69 1.6541 3 5 1 4 55.58 1.82 1.6536 -2 2 6 4 55.65 3.09 1.6515 -7 2 1 4 55.95 1.22 1.6435 5 4 1 4 56.03 1.62 1.6412 -1 5 3 4 56.73 4.61 1.6228 -7 2 2 4 58.17 1.84 1.5858 6 2 3 4 58.43 4.33 1.5794 6 3 2 4 59.09 3.56 1.5635 4 2 5 4 59.18 4.02 1.5611 -7 2 3 4 59.35 2.23 1.5572 -6 1 5 4 59.59 13.07 1.5515 -1 3 6 4 59.93 12.08 1.5435 0 6 0 2 59.96 16.83 1.5428 0 3 6 4 60.23 5.25 1.5365 6 0 4 2 60.24 3.49 1.5363 8 0 0 2 60.45 1.25 1.5315 1 6 0 4 60.62 1.43 1.5277 0 6 1 4 61.15 1.98 1.5155 8 1 0 4 61.36 9.33 1.5110 -7 3 2 4 61.96 3.85 1.4977 -3 3 6 4 62.04 2.14 1.4960 3 5 3 4 62.56 1.10 1.4847 -4 5 3 4 62.77 2.46 1.4803 -5 5 1 4 62.82 1.41 1.4792 5 5 0 4 63.70 1.52 1.4609 -3 5 4 4 63.75 1.95 1.4599 2 3 6 4 63.88 1.90 1.4573 -5 2 6 4 64.09 1.28 1.4529 -4 4 5 4 64.52 5.57 1.4444 3 6 0 4 64.63 2.67 1.4421 -4 3 6 4 64.76 2.32 1.4396 6 4 2 4 65.37 1.25 1.4275 7 3 2 4 65.58 1.09 1.4235 2 1 7 4 65.60 1.17 1.4232 3 6 1 4 67.07 3.18 1.3954 3 3 6 4 67.34 1.56 1.3905 7 0 4 2 67.52 3.77 1.3872 -7 4 2 4 68.20 2.42 1.3751 7 1 4 4 68.22 1.24 1.3747 -5 3 6 4 69.14 2.04 1.3587 -3 5 5 4 69.67 1.60 1.3496 4 4 5 4 70.39 5.30 1.3376 -1 6 4 4 70.49 3.11 1.3359 0 0 8 2 71.27 1.32 1.3231 4 3 6 4 71.28 1.91 1.3231 -2 6 4 4 71.53 1.37 1.3191 -3 0 8 2 71.53 1.72 1.3190 -6 5 3 4 71.57 1.28 1.3184 -5 2 7 4 72.05 1.98 1.3108 1 0 8 2 72.89 1.37 1.2977 8 3 2 4 73.43 2.68 1.2895 2 6 4 4 73.94 2.77 1.2819 -9 0 4 2 74.10 1.08 1.2795 -5 4 6 4 75.08 1.36 1.2652 -6 5 4 4 75.85 2.26 1.2543 -4 6 4 4 77.91 1.30 1.2262 3 0 8 2 78.39 1.35 1.2198 5 1 7 4 79.79 1.60 1.2019 -6 5 5 4 81.03 2.31 1.1867 9 3 2 4 83.97 1.87 1.1524 -6 6 4 4 84.01 2.61 1.1520 -8 3 6 4 84.75 3.25 1.1438 -10 3 2 4 85.78 1.20 1.1328 -7 0 8 2 87.26 1.19 1.1173 5 0 8 2 88.79 2.68 1.1019 7 3 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.