Parakhinite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080124 Burns P C, Cooper M A, Hawthorne F C The Canadian Mineralogist 33 (1995) 33-40 Parakhinite, Cu3PbTeO6(OH)2: Crystal structure and revision of chemical formula CELL PARAMETERS: 5.7580 5.7580 17.9610 90.000 90.000 120.000 SPACE GROUP: P3_2 ATOM X Y Z OCCUPANCY ISO(B) Pb 0.33310 0.16590 0.18830 1.000 0.750 Te 0.32960 0.16610 -0.01670 1.000 0.024 Cu 0.83300 0.65900 -0.27330 1.000 0.095 Cu 0.32600 0.66000 0.05920 1.000 0.047 Cu -0.17700 0.66000 -0.01550 1.000 0.039 O 0.57500 0.41300 -0.08200 1.000 0.079 O 0.08000 0.90900 -0.08400 1.000 0.213 O 0.49700 0.98000 -0.01200 1.000 0.284 O 0.57600 0.41200 0.05900 1.000 0.047 O 0.11800 0.36400 -0.01500 1.000 0.679 O 0.07600 0.91100 0.05800 1.000 0.079 OH 0.56100 0.91600 0.13400 1.000 0.118 OH 0.08100 0.41300 0.13200 1.000 0.150 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 16 MAX. ABS. INTENSITY / VOLUME**2: 98.07013170 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.80 9.54 5.9870 0 0 3 17.79 18.95 4.9866 1 0 0 18.47 35.58 4.8048 0 1 1 18.47 32.71 4.8048 1 0 1 20.37 9.26 4.3596 0 1 2 20.37 9.10 4.3596 1 0 2 23.21 11.60 3.8316 0 1 3 23.21 12.40 3.8316 1 0 3 26.72 41.77 3.3368 0 1 4 26.72 42.03 3.3368 1 0 4 29.85 12.21 2.9935 0 0 6 30.67 34.29 2.9147 0 1 5 30.67 34.49 2.9147 1 0 5 31.06 4.65 2.8790 1 1 0 31.47 8.68 2.8427 2 -1 1 31.47 8.92 2.8427 1 1 1 32.66 5.10 2.7416 2 -1 2 32.66 5.47 2.7416 1 1 2 34.57 3.04 2.5946 2 -1 3 34.57 4.24 2.5946 1 1 3 34.96 4.52 2.5666 0 1 6 34.96 4.45 2.5666 1 0 6 36.02 100.00 2.4933 2 0 0 36.38 2.05 2.4696 0 2 1 36.38 1.43 2.4696 2 0 1 37.09 19.85 2.4236 2 -1 4 37.09 19.90 2.4236 1 1 4 40.14 20.43 2.2465 1 1 5 40.14 21.40 2.2465 2 -1 5 43.62 6.09 2.0751 1 1 6 43.62 6.76 2.0751 2 -1 6 45.45 8.93 1.9957 0 0 9 47.46 12.34 1.9158 0 2 6 47.46 13.21 1.9158 2 0 6 47.46 1.06 1.9155 1 1 7 48.29 1.20 1.8847 1 2 0 48.57 3.86 1.8745 -1 3 1 48.57 4.08 1.8745 1 2 1 48.57 4.15 1.8745 2 1 1 48.57 3.91 1.8745 3 -1 1 49.18 2.20 1.8528 0 1 9 49.18 2.07 1.8528 1 0 9 50.79 1.08 1.7978 -1 3 3 50.79 1.25 1.7978 1 2 3 50.79 1.26 1.7978 2 1 3 50.79 1.03 1.7978 3 -1 3 52.67 6.54 1.7379 -1 3 4 52.67 6.44 1.7379 1 2 4 52.67 6.29 1.7379 2 1 4 52.67 5.84 1.7379 3 -1 4 54.29 6.63 1.6898 1 0 10 54.29 6.66 1.6898 0 1 10 55.02 8.54 1.6690 -1 3 5 55.02 8.18 1.6690 1 2 5 55.02 8.59 1.6690 2 1 5 55.02 8.64 1.6690 3 -1 5 55.26 1.24 1.6622 3 0 0 55.52 1.06 1.6551 0 3 1 55.52 1.35 1.6551 3 0 1 56.07 2.24 1.6402 1 1 9 56.07 2.04 1.6402 2 -1 9 56.29 1.16 1.6344 3 0 2 57.81 2.33 1.5949 -1 3 6 57.81 2.58 1.5949 1 2 6 57.81 2.38 1.5949 3 -1 6 57.81 2.12 1.5949 2 1 6 59.28 5.08 1.5588 0 3 4 59.28 4.57 1.5588 3 0 4 59.31 14.75 1.5580 0 2 9 59.31 14.29 1.5580 2 0 9 59.58 2.79 1.5517 1 0 11 59.58 2.74 1.5517 0 1 11 60.78 4.50 1.5239 1 1 10 60.78 4.36 1.5239 2 -1 10 61.47 4.50 1.5085 0 3 5 61.47 4.33 1.5085 3 0 5 64.08 1.01 1.4532 3 0 6 64.76 19.33 1.4395 2 2 0 65.75 1.95 1.4203 1 1 11 65.75 1.92 1.4203 2 -1 11 68.47 1.03 1.3703 2 1 9 68.47 1.14 1.3703 3 -1 9 71.36 2.12 1.3218 1 3 4 71.36 2.42 1.3218 -1 4 4 71.36 2.53 1.3218 3 1 4 71.36 2.43 1.3218 4 -1 4 72.73 2.72 1.3002 3 -1 10 72.73 2.79 1.3002 -1 3 10 72.73 2.80 1.3002 1 2 10 72.73 2.73 1.3002 2 1 10 72.92 3.62 1.2973 4 -2 6 72.92 3.62 1.2973 2 2 6 73.35 2.84 1.2907 -1 4 5 73.35 2.65 1.2907 3 1 5 73.35 2.62 1.2907 1 3 5 73.35 2.45 1.2907 4 -1 5 76.40 15.12 1.2466 4 0 0 76.70 1.44 1.2425 1 0 14 76.70 1.48 1.2425 0 1 14 77.32 1.04 1.2341 3 -1 11 77.32 1.05 1.2341 2 1 11 78.39 2.00 1.2199 0 3 10 78.39 2.10 1.2199 3 0 10 80.16 4.14 1.1974 0 0 15 82.27 1.01 1.1718 2 -1 14 82.27 1.02 1.1718 1 1 14 82.65 5.61 1.1675 4 -2 9 82.65 5.51 1.1675 2 2 9 82.88 1.10 1.1648 0 3 11 82.88 1.22 1.1648 3 0 11 84.12 1.59 1.1508 4 0 6 84.12 1.74 1.1508 0 4 6 89.42 1.51 1.0958 -1 4 10 89.42 1.61 1.0958 3 1 10 89.42 1.45 1.0958 1 3 10 89.42 1.56 1.0958 4 -1 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.