Nabokoite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070062 Pertlik F, Zemann J Mineralogy and Petrology 38 (1988) 291-298 The crystal structure of nabokoite, Cu7TeO4(SO4)5*KCl: The first example of a Te(IV)O4 pyramid with exactly tetragonal symmetry Locality: Mount Tolbachik, Kamchatka, USSR CELL PARAMETERS: 9.8070 9.8070 20.5250 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: P4/ncc ATOM X Y Z OCCUPANCY ISO(B) Cu 0.48570 0.27380 0.89520 1.000 0.976 Cu 0.25000 0.25000 0.69850 1.000 1.350 Cu 0.00000 0.00000 0.00000 1.000 0.974 Te 0.25000 0.25000 0.99600 1.000 1.850 S 0.56810 0.99370 0.85250 1.000 0.919 S 0.75000 0.25000 0.00000 1.000 0.708 O 0.42550 0.95440 0.83810 1.000 1.290 O 0.66240 0.92970 0.80890 1.000 1.171 O 0.58440 0.14210 0.84370 1.000 1.066 O 0.60240 0.95600 0.92020 1.000 1.234 O 0.65450 0.32940 0.96010 1.000 1.282 O 0.36550 0.39120 0.94990 1.000 0.761 K 0.75000 0.25000 0.75000 1.000 5.193 Cl 0.25000 0.25000 0.82250 1.000 1.448 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 18 MAX. ABS. INTENSITY / VOLUME**2: 31.14438396 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.62 100.00 10.2625 0 0 2 12.48 25.33 7.0902 1 0 2 12.77 34.79 6.9346 1 1 0 15.42 2.43 5.7458 1 1 2 17.28 2.01 5.1312 0 0 4 19.52 35.93 4.5465 1 0 4 20.71 2.20 4.2890 2 1 1 21.54 1.09 4.1248 1 1 4 22.04 13.88 4.0330 2 1 2 25.12 30.30 3.5451 2 0 4 25.69 24.00 3.4673 2 2 0 26.05 12.45 3.4208 0 0 6 27.15 5.37 3.2849 2 2 2 27.62 5.71 3.2300 1 0 6 28.66 16.83 3.1148 3 0 2 28.79 3.35 3.1012 3 1 0 29.11 5.39 3.0679 1 1 6 29.12 9.54 3.0664 3 1 1 29.81 3.12 2.9970 2 1 5 31.13 69.47 2.8729 2 2 4 31.68 5.08 2.8246 3 1 3 31.90 1.22 2.8056 2 0 6 33.21 1.31 2.6974 2 1 6 33.77 1.21 2.6541 3 1 4 34.10 22.87 2.6292 3 2 2 34.97 2.87 2.5656 0 0 8 36.31 2.05 2.4745 3 1 5 36.65 28.72 2.4518 4 0 0 36.91 58.51 2.4352 2 2 6 37.42 1.06 2.4032 3 2 4 37.72 5.25 2.3846 4 0 2 38.08 3.86 2.3634 3 0 6 38.87 2.53 2.3171 4 1 2 39.21 19.94 2.2976 3 1 6 39.75 1.69 2.2674 3 2 5 39.98 1.52 2.2550 3 3 2 40.14 3.64 2.2466 4 1 3 40.74 7.42 2.2145 2 1 8 41.16 2.96 2.1929 4 2 0 42.14 2.36 2.1445 4 2 2 42.46 4.11 2.1290 3 2 6 42.91 2.66 2.1076 3 3 4 43.33 2.39 2.0883 4 2 3 43.90 1.69 2.0624 2 2 8 44.12 2.82 2.0525 0 0 10 45.49 2.33 1.9941 3 2 7 45.52 2.51 1.9928 4 0 6 46.12 6.36 1.9681 1 1 10 46.50 4.42 1.9529 4 1 6 47.18 1.81 1.9265 4 3 2 47.26 6.03 1.9233 5 1 0 47.47 1.00 1.9153 3 3 6 48.06 1.97 1.8933 2 0 10 48.13 1.19 1.8904 5 1 2 48.79 6.09 1.8664 3 2 8 49.33 2.31 1.8472 4 1 7 49.77 2.55 1.8321 4 3 4 49.77 1.42 1.8321 5 0 4 51.56 14.05 1.7725 4 0 8 52.81 13.95 1.7336 4 4 0 53.54 1.67 1.7116 3 1 10 53.58 1.38 1.7104 0 0 12 53.61 4.39 1.7094 4 4 2 53.88 1.17 1.7015 4 3 6 54.56 2.33 1.6819 5 3 0 54.75 1.15 1.6765 5 1 6 55.99 1.38 1.6424 4 4 4 57.32 1.20 1.6073 6 1 1 57.87 1.24 1.5935 2 1 12 58.66 14.69 1.5738 4 0 10 58.85 1.24 1.5693 6 1 3 59.31 1.08 1.5582 5 0 8 59.39 1.60 1.5563 5 3 5 59.63 1.24 1.5506 6 2 0 59.80 1.23 1.5464 4 4 6 60.34 3.98 1.5339 2 2 12 60.63 1.72 1.5273 5 4 1 61.18 1.86 1.5148 5 4 2 61.43 2.09 1.5093 5 3 6 62.10 1.79 1.4946 5 4 3 62.55 2.16 1.4850 5 2 8 62.58 16.51 1.4843 6 2 4 63.25 1.31 1.4703 5 1 9 63.38 1.52 1.4676 5 4 4 64.37 2.41 1.4473 6 3 2 64.92 2.36 1.4365 4 4 8 66.17 11.21 1.4123 6 2 6 66.64 2.89 1.4034 5 1 10 66.67 2.50 1.4028 4 0 12 67.44 2.02 1.3887 4 1 12 67.71 2.28 1.3838 7 1 1 68.77 2.21 1.3651 6 1 8 69.10 1.38 1.3593 7 1 3 69.44 1.02 1.3536 5 3 9 69.63 7.09 1.3503 2 2 14 70.31 1.20 1.3389 7 1 4 70.51 1.39 1.3356 7 2 2 71.19 4.51 1.3244 4 4 10 72.68 1.35 1.3009 5 3 10 73.46 1.57 1.2891 5 0 12 73.71 1.28 1.2853 7 1 6 74.61 1.19 1.2720 1 0 16 77.09 1.08 1.2372 6 2 10 77.93 1.93 1.2259 8 0 0 78.36 1.11 1.2203 5 1 13 78.59 1.17 1.2172 8 0 2 79.54 1.39 1.2052 7 3 6 79.70 1.78 1.2031 2 2 16 84.30 1.56 1.1488 6 2 12 86.27 3.30 1.1275 6 6 4 89.35 1.95 1.0965 8 4 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.