Gilmarite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130688 Sarp H, Cerny R European Journal of Mineralogy 11 (1999) 549-555 Gilmarite, Cu3(AsO4)(OH)3, a new mineral: its description and crystal structure _database_code_amcsd 0006791 CELL PARAMETERS: 5.4450 5.8790 5.1120 114.910 93.260 92.030 SPACE GROUP: P1 ATOM X Y Z OCCUPANCY ISO(B) Cu 0.04920 0.60360 0.32240 1.000 0.774 Cu 0.54890 0.36310 0.35680 1.000 0.782 Cu 0.57230 0.88110 0.38690 1.000 0.782 As -0.00130 0.00030 0.00010 1.000 0.703 O 0.16200 0.27100 0.07100 1.000 1.184 O 0.18800 0.80500 0.07400 1.000 1.421 OH 0.70300 0.54200 0.15400 1.000 0.790 O 0.74300 0.06000 0.18600 1.000 1.026 OH 0.37100 0.67300 0.53800 1.000 0.711 OH 0.48300 0.22300 0.63000 1.000 1.026 O 0.90500 0.86800 0.65300 1.000 1.263 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 30.52828308 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.34 4.28 5.4245 1 0 0 16.66 15.03 5.3206 0 1 0 19.20 100.00 4.6219 0 0 1 19.37 39.39 4.5815 0 -1 1 22.63 2.99 3.9294 -1 1 0 24.19 20.89 3.6797 1 1 0 24.29 36.07 3.6642 -1 0 1 25.17 17.24 3.5388 -1 -1 1 25.73 18.51 3.4627 1 -1 1 26.30 52.32 3.3881 1 0 1 30.53 12.80 2.9281 0 1 1 30.86 3.37 2.8974 0 -2 1 33.03 45.45 2.7122 2 0 0 33.50 14.24 2.6749 -1 1 1 33.69 5.53 2.6603 0 2 0 34.78 18.46 2.5791 1 -2 1 35.17 14.45 2.5517 0 -1 2 35.44 47.17 2.5329 -1 -2 1 36.09 11.77 2.4885 1 1 1 36.63 38.57 2.4530 -1 2 0 37.08 9.33 2.4245 -2 0 1 38.12 8.48 2.3605 -1 -1 2 38.19 1.13 2.3568 -2 -1 1 38.22 1.26 2.3547 2 1 0 38.66 6.09 2.3289 1 2 0 38.96 8.67 2.3117 2 -1 1 38.97 5.50 2.3109 0 0 2 39.33 6.15 2.2908 0 -2 2 39.85 17.99 2.2623 2 0 1 39.88 4.60 2.2607 1 -1 2 41.23 2.48 2.1895 -1 0 2 42.50 17.53 2.1272 -1 -2 2 43.21 4.28 2.0938 1 -2 2 43.48 5.44 2.0813 -2 1 1 43.78 3.52 2.0678 1 0 2 45.30 6.33 2.0019 2 -2 1 46.02 5.22 1.9722 0 2 1 46.21 1.04 1.9647 -2 2 0 47.54 5.06 1.9127 -2 -1 2 47.63 4.53 1.9094 2 1 1 47.75 12.24 1.9046 -1 2 1 49.20 2.19 1.8519 0 1 2 49.54 3.98 1.8399 2 2 0 49.77 5.19 1.8321 -2 0 2 49.79 3.36 1.8313 0 -3 2 50.46 8.06 1.8086 2 -1 2 50.53 4.91 1.8063 1 2 1 50.69 4.50 1.8008 -1 1 2 51.53 4.20 1.7735 0 3 0 51.66 6.76 1.7694 -2 -2 2 52.67 3.49 1.7377 1 -3 2 52.84 2.37 1.7325 -1 -3 2 52.88 2.00 1.7314 2 -2 2 52.89 1.38 1.7310 -3 0 1 53.28 1.48 1.7194 -1 3 0 53.66 2.37 1.7081 1 1 2 54.14 9.42 1.6940 2 0 2 54.67 3.62 1.6788 3 1 0 54.74 1.09 1.6769 0 -2 3 55.01 1.80 1.6694 3 -1 1 55.29 4.41 1.6615 -2 2 1 55.56 1.16 1.6540 1 3 0 56.06 1.92 1.6404 3 0 1 56.15 1.63 1.6380 -1 -1 3 56.73 7.51 1.6227 -1 -2 3 57.55 1.68 1.6015 -3 1 1 57.81 1.96 1.5949 -2 1 2 58.32 11.04 1.5822 1 -2 3 58.49 1.26 1.5781 1 -1 3 59.69 5.35 1.5492 3 -2 1 59.94 14.50 1.5432 -3 2 0 60.05 7.01 1.5406 0 0 3 60.64 1.20 1.5272 0 -3 3 60.90 1.56 1.5212 2 -3 2 60.99 12.12 1.5192 -3 -2 1 61.14 2.03 1.5159 -3 -1 2 61.21 1.15 1.5142 -2 -3 2 62.67 2.75 1.4824 3 1 1 62.68 2.05 1.4822 -3 0 2 62.85 1.63 1.4786 -1 -3 3 63.07 1.09 1.4740 -2 -1 3 63.66 1.52 1.4617 1 -3 3 63.68 1.81 1.4614 0 3 1 63.95 1.01 1.4558 -2 -2 3 64.12 10.02 1.4525 0 -4 1 64.13 1.12 1.4521 1 0 3 64.15 2.41 1.4518 3 2 0 64.30 5.79 1.4487 0 -4 2 64.48 5.54 1.4452 -1 2 2 64.65 3.21 1.4417 2 3 0 64.74 1.44 1.4400 -1 3 1 65.00 3.50 1.4348 -3 -2 2 66.43 2.65 1.4073 1 -4 2 66.59 1.10 1.4043 3 -2 2 67.25 1.07 1.3921 -1 -4 2 67.31 1.16 1.3911 -3 2 1 67.50 8.39 1.3876 -2 0 3 67.71 1.60 1.3839 1 3 1 67.71 6.94 1.3838 1 2 2 69.29 2.22 1.3561 4 0 0 69.44 1.34 1.3535 -3 1 2 70.04 1.40 1.3435 -2 -3 3 70.77 1.39 1.3312 -2 3 1 70.85 5.12 1.3300 -4 0 1 71.57 1.20 1.3184 2 -3 3 72.35 3.93 1.3061 2 -4 1 72.99 2.20 1.2962 2 0 3 73.22 1.43 1.2926 4 -1 1 73.41 1.82 1.2898 3 -3 2 73.43 1.99 1.2896 2 -4 2 73.85 1.25 1.2832 1 -4 3 73.98 1.64 1.2812 3 2 1 74.35 2.05 1.2759 0 -2 4 74.53 1.17 1.2731 -4 1 1 74.56 1.48 1.2727 1 4 0 74.99 2.51 1.2664 -2 -4 2 75.60 2.32 1.2578 -1 -2 4 75.71 2.31 1.2562 -2 -4 1 76.44 1.30 1.2461 2 3 1 76.57 1.03 1.2443 2 2 2 76.98 1.33 1.2386 4 -2 1 77.87 1.73 1.2267 1 -2 4 78.98 1.42 1.2123 -4 0 2 79.71 2.86 1.2029 3 -2 3 81.02 1.67 1.1867 2 -4 3 81.81 1.06 1.1774 4 2 0 83.77 1.21 1.1547 0 4 1 84.30 2.22 1.1488 -1 0 4 84.61 2.07 1.1454 0 -4 4 85.11 1.35 1.1399 0 2 3 85.93 2.32 1.1312 4 0 2 86.00 1.76 1.1304 2 -2 4 86.10 1.18 1.1294 3 0 3 89.70 1.23 1.0931 -2 4 1 89.75 1.39 1.0927 3 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.