Teineite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100206 Effenberger H Tschermaks Mineralogische und Petrographische Mitteilungen 24 (1977) 287-298 Verfeinerung der kristallstruktur von synthetischem teineit CuTeO3*2(H2O) Note: Synthetic sample. _database_code_amcsd 0015667 CELL PARAMETERS: 6.6300 9.6000 7.4250 90.000 90.000 90.000 SPACE GROUP: P2_12_12_1 ATOM X Y Z OCCUPANCY ISO(B) Cu 0.53070 0.15600 0.20110 1.000 0.810 Te 0.71060 0.38950 0.47380 1.000 0.760 O 0.24030 0.21250 0.74150 1.000 1.300 O 0.97920 0.38080 0.54340 1.000 0.700 O 0.27630 0.06480 0.13330 1.000 0.900 Wa 0.06470 0.28870 0.05010 1.000 1.400 Wa 0.28730 0.44770 0.32990 1.000 1.300 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 8 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 34.63483027 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.08 37.36 5.8733 0 1 1 16.25 85.82 5.4554 1 1 0 17.94 57.17 4.9454 1 0 1 20.20 23.89 4.3963 1 1 1 22.05 6.05 4.0310 0 2 1 22.87 19.55 3.8880 1 2 0 23.97 9.32 3.7125 0 0 2 25.73 24.84 3.4626 0 1 2 25.87 100.00 3.4444 1 2 1 26.90 7.80 3.3150 2 0 0 27.54 4.18 3.2392 1 0 2 28.49 14.71 3.1334 2 1 0 29.09 57.06 3.0692 1 1 2 29.51 2.25 3.0270 2 0 1 30.42 43.11 2.9387 0 3 1 30.44 2.54 2.9366 0 2 2 30.98 38.64 2.8869 2 1 1 31.03 8.38 2.8819 1 3 0 32.83 10.07 2.7277 2 2 0 33.35 6.69 2.6866 1 3 1 33.37 12.32 2.6850 1 2 2 35.05 28.16 2.5604 2 2 1 36.33 15.91 2.4727 2 0 2 37.09 1.31 2.4239 0 3 2 37.47 17.08 2.4000 0 4 0 37.53 16.05 2.3966 0 1 3 37.56 8.02 2.3945 2 1 2 38.84 1.27 2.3187 1 0 3 39.46 2.13 2.2837 0 4 1 39.59 5.30 2.2765 1 3 2 39.95 6.61 2.2567 1 4 0 40.00 1.15 2.2539 1 1 3 41.03 6.73 2.1998 0 2 3 41.04 11.87 2.1990 2 3 1 41.06 1.37 2.1982 2 2 2 41.84 6.97 2.1592 1 4 1 41.95 8.65 2.1537 3 1 0 43.34 28.21 2.0879 1 2 3 43.77 9.67 2.0684 3 1 1 44.98 5.82 2.0155 0 4 2 45.17 20.26 2.0074 3 2 0 45.75 3.41 1.9832 2 0 3 46.38 10.57 1.9578 0 3 3 46.41 2.88 1.9566 2 3 2 46.73 1.02 1.9440 2 4 0 46.77 2.51 1.9422 2 1 3 46.88 5.49 1.9379 3 2 1 47.13 1.92 1.9284 1 4 2 47.90 1.29 1.8990 3 0 2 48.40 5.76 1.8806 2 4 1 48.48 5.64 1.8776 1 3 3 48.89 5.29 1.8629 3 1 2 49.08 4.87 1.8563 0 0 4 49.42 8.39 1.8442 1 5 0 50.17 6.31 1.8185 3 3 0 51.03 1.84 1.7898 1 5 1 51.10 5.93 1.7875 1 0 4 51.76 1.33 1.7663 3 3 1 51.77 2.03 1.7658 3 2 2 52.04 13.08 1.7573 1 1 4 53.18 18.38 1.7222 2 4 2 54.43 4.07 1.6857 2 3 3 55.07 4.56 1.6676 1 4 3 55.29 1.04 1.6614 2 5 0 55.43 5.60 1.6575 4 0 0 55.65 14.03 1.6517 1 5 2 55.76 2.06 1.6485 3 0 3 56.65 5.70 1.6247 3 1 3 56.78 1.36 1.6214 2 5 1 56.92 7.51 1.6177 4 0 1 57.73 5.89 1.5971 2 1 4 57.80 1.72 1.5952 4 1 1 58.08 1.87 1.5881 3 4 1 59.21 2.00 1.5605 1 3 4 59.27 8.57 1.5591 3 2 3 60.57 4.45 1.5288 2 4 3 60.85 9.19 1.5223 1 6 1 61.08 3.48 1.5170 0 5 3 61.11 1.25 1.5165 2 5 2 62.08 5.29 1.4950 4 1 2 62.35 3.29 1.4892 3 4 2 63.17 1.64 1.4718 4 3 0 63.29 3.17 1.4693 0 6 2 63.34 2.94 1.4683 0 4 4 63.48 5.15 1.4654 3 3 3 64.48 7.31 1.4451 2 3 4 64.55 3.34 1.4437 4 3 1 64.69 4.02 1.4409 2 6 0 65.01 1.74 1.4345 1 6 2 65.06 2.71 1.4336 1 4 4 65.10 3.64 1.4329 1 1 5 65.63 4.74 1.4226 3 5 1 65.83 1.80 1.4187 0 2 5 66.50 1.98 1.4061 3 1 4 67.52 3.76 1.3873 1 2 5 68.08 1.26 1.3772 4 0 3 68.59 5.95 1.3682 4 3 2 68.84 2.03 1.3639 4 4 0 68.87 2.33 1.3632 4 1 3 68.90 4.25 1.3629 3 2 4 69.13 1.67 1.3588 3 4 3 69.64 3.07 1.3502 3 5 2 69.73 3.85 1.3486 0 7 1 69.82 1.08 1.3470 0 3 5 70.09 2.12 1.3425 2 4 4 70.13 4.83 1.3419 2 1 5 70.16 4.44 1.3414 4 4 1 70.57 1.51 1.3345 0 5 4 71.47 4.94 1.3201 1 3 5 71.66 2.16 1.3169 1 6 3 72.21 3.83 1.3083 1 5 4 72.40 1.20 1.3053 5 0 1 72.47 2.90 1.3042 2 2 5 72.81 1.27 1.2990 3 3 4 73.00 1.35 1.2960 3 6 0 73.17 4.01 1.2934 5 1 1 74.19 1.01 1.2781 5 2 0 74.29 3.95 1.2767 3 6 1 75.09 1.39 1.2650 4 3 3 75.47 1.17 1.2596 5 2 1 76.10 1.89 1.2507 3 5 3 76.21 2.11 1.2492 2 7 1 76.31 2.36 1.2479 2 3 5 76.50 1.17 1.2453 2 6 3 77.82 1.23 1.2273 0 1 6 78.11 1.05 1.2236 3 6 2 78.19 1.67 1.2225 3 1 5 79.27 4.13 1.2085 5 2 2 79.98 1.21 1.1996 0 7 3 80.00 1.44 1.1993 2 7 2 80.17 3.16 1.1973 4 2 4 80.87 1.19 1.1886 4 5 2 81.55 1.44 1.1804 1 7 3 82.76 1.65 1.1662 1 8 1 83.81 1.07 1.1542 0 3 6 83.90 1.64 1.1533 4 3 4 84.36 1.10 1.1481 3 6 3 84.93 1.14 1.1418 0 8 2 86.23 3.04 1.1280 2 7 3 86.33 1.26 1.1269 2 2 6 87.08 1.58 1.1191 4 5 3 88.26 1.05 1.1072 2 5 5 88.38 1.08 1.1060 4 0 5 89.22 1.50 1.0978 6 1 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.