Terlinguaite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140878 Brodersen K, Gobel G, Liehr G Zeitschrift fur Anorganische und Allgemeine Chemie 575 (1989) 145-153 Terlinguait Hg4O2Cl2 - ein mineral mit ungewohnlichen Hg3-baueinheiten _database_code_amcsd 0015794 CELL PARAMETERS: 11.9580 5.9100 9.4700 90.000 105.560 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Hg 0.25000 0.25000 0.00000 1.000 1.242 Hg 0.00000 0.59080 0.25000 1.000 1.244 Hg -0.04880 0.19430 0.10360 1.000 1.529 O 0.07930 0.17570 0.93910 1.000 1.254 Cl 0.19420 0.29330 0.64470 1.000 1.856 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 5 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 148.7686297 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.38 66.64 5.7599 2 0 0 16.86 1.21 5.2584 1 1 0 19.46 6.20 4.5615 0 0 2 20.50 21.26 4.3321 1 1 1 21.36 87.96 4.1600 -2 0 2 24.21 12.96 3.6757 -1 1 2 27.22 89.89 3.2765 -3 1 1 27.41 31.90 3.2541 1 1 2 27.70 1.83 3.2199 3 1 0 28.02 1.62 3.1843 2 0 2 30.16 2.12 2.9633 -3 1 2 30.25 40.33 2.9550 0 2 0 31.05 42.05 2.8799 4 0 0 31.47 27.80 2.8423 3 1 1 31.83 35.11 2.8112 0 2 1 31.99 24.98 2.7974 -4 0 2 32.15 2.53 2.7844 -1 1 3 34.10 1.14 2.6292 2 2 0 34.32 29.67 2.6129 -2 2 1 35.76 39.98 2.5107 -3 1 3 35.88 100.00 2.5030 1 1 3 36.22 25.61 2.4801 0 2 2 36.71 7.41 2.4479 2 2 1 37.33 5.45 2.4091 -2 2 2 37.64 14.82 2.3895 3 1 2 38.35 12.84 2.3470 -2 0 4 41.17 11.41 2.1927 -1 1 4 41.32 14.15 2.1849 4 0 2 41.70 1.53 2.1660 2 2 2 42.09 4.57 2.1466 5 1 0 43.07 21.57 2.1003 -4 2 1 43.14 12.17 2.0969 -3 1 4 43.90 5.30 2.0624 4 2 0 45.21 4.74 2.0057 -5 1 3 45.23 6.39 2.0047 1 1 4 45.40 5.10 1.9979 3 1 3 45.78 4.26 1.9820 5 1 1 46.11 27.93 1.9684 -6 0 2 46.78 8.40 1.9418 1 3 0 47.43 2.39 1.9170 -1 3 1 48.33 3.85 1.8832 -4 2 3 48.36 14.76 1.8820 1 3 1 49.60 24.68 1.8378 -2 2 4 50.55 2.42 1.8055 0 2 4 50.59 3.90 1.8043 -5 1 4 50.93 14.65 1.7931 -1 1 5 51.37 5.88 1.7786 5 1 2 51.73 4.46 1.7671 -3 1 5 51.90 23.35 1.7617 -3 3 1 52.01 5.11 1.7582 1 3 2 52.06 25.56 1.7568 4 2 2 52.19 2.99 1.7528 3 3 0 53.67 1.91 1.7077 -3 3 2 54.27 1.78 1.6904 3 1 4 54.94 4.58 1.6712 -1 3 3 55.28 1.45 1.6619 1 1 5 55.70 5.67 1.6503 -6 2 1 56.14 7.54 1.6382 -6 2 2 56.27 4.04 1.6348 -7 1 1 56.56 5.58 1.6270 2 2 4 57.22 5.73 1.6100 6 2 0 57.45 2.24 1.6040 1 3 3 57.54 15.91 1.6017 -5 1 5 57.92 4.72 1.5921 4 0 4 58.19 2.55 1.5854 7 1 0 58.48 6.71 1.5783 -2 0 6 58.50 8.58 1.5777 5 1 3 58.53 3.48 1.5771 -6 2 3 58.70 4.61 1.5729 3 3 2 60.93 1.23 1.5205 0 0 6 61.28 4.09 1.5127 -1 3 4 61.29 1.15 1.5125 -3 1 6 61.75 3.19 1.5023 -5 3 2 61.94 15.73 1.4980 7 1 1 62.18 1.79 1.4929 -8 0 2 62.71 5.60 1.4816 -6 2 4 62.78 5.56 1.4801 -3 3 4 64.39 6.80 1.4470 -5 3 3 64.41 1.84 1.4466 1 3 4 64.53 1.70 1.4440 3 3 3 64.84 1.55 1.4380 5 3 1 65.19 2.68 1.4312 2 4 0 65.77 2.66 1.4198 2 2 5 65.80 1.71 1.4193 -5 1 6 66.52 3.11 1.4056 0 4 2 66.89 4.93 1.3987 -8 0 4 67.25 1.48 1.3922 -2 2 6 67.36 1.72 1.3902 7 1 2 67.52 1.18 1.3873 -7 1 5 67.84 7.77 1.3815 2 0 6 69.39 4.57 1.3544 -4 2 6 69.39 2.95 1.3544 5 3 2 70.88 2.76 1.3295 -2 4 3 70.91 5.58 1.3289 0 4 3 71.20 1.16 1.3242 -4 4 1 72.08 3.70 1.3103 -8 2 3 72.33 1.37 1.3065 -4 4 2 72.56 3.25 1.3028 -1 1 7 72.70 4.12 1.3007 1 3 5 73.56 4.94 1.2876 -7 3 1 73.58 2.20 1.2872 -7 3 2 73.69 3.37 1.2856 -9 1 1 73.99 2.92 1.2811 -9 1 3 74.12 2.45 1.2792 4 4 1 74.47 1.92 1.2741 -7 1 6 75.15 1.35 1.2642 -8 2 4 75.24 4.02 1.2629 2 4 3 75.99 2.87 1.2524 4 2 5 76.05 2.86 1.2515 2 2 6 76.09 1.49 1.2510 9 1 0 76.13 2.53 1.2504 -2 4 4 76.51 4.44 1.2451 5 1 5 77.69 2.80 1.2291 -2 2 7 78.08 2.80 1.2239 4 4 2 78.24 1.16 1.2219 -8 0 6 80.30 2.16 1.1956 -10 0 2 80.56 2.70 1.1924 0 2 7 81.00 2.27 1.1871 -9 1 5 81.80 1.59 1.1774 2 4 4 81.94 4.10 1.1758 1 5 0 82.14 3.81 1.1735 -4 0 8 82.16 2.37 1.1732 8 2 2 82.29 1.31 1.1717 1 3 6 82.35 1.48 1.1709 6 4 0 82.41 1.21 1.1702 -1 5 1 82.84 3.35 1.1653 -7 1 7 82.92 1.77 1.1644 -2 4 5 83.64 2.79 1.1562 4 4 3 85.07 2.16 1.1404 0 0 8 85.28 2.43 1.1381 6 4 1 85.61 3.27 1.1345 -4 4 5 86.07 2.61 1.1297 3 5 0 86.12 3.86 1.1292 -8 2 6 87.12 1.58 1.1187 -6 4 4 87.25 1.98 1.1173 -3 5 2 87.52 1.47 1.1146 2 2 7 88.43 3.40 1.1055 -1 3 7 89.77 3.41 1.0925 8 0 4 89.80 1.63 1.0922 -9 -3 3 89.87 1.89 1.0915 6 2 5 89.96 1.49 1.0906 -4 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.