Christite Brown K L, Dickson F W Zeitschrift fur Kristallographie 144 (1976) 367-376 The crystal structure of synthetic christite, HgTlAsS3 Locality: synthetic _database_code_amcsd 0010787 CELL PARAMETERS: 6.1130 16.1880 6.1110 90.000 96.710 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 600.586 Density (g/cm3): 6.370 MAX. ABS. INTENSITY / VOLUME**2: 97.52197979 RIR: 4.985 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.93 5.02 8.0940 0 2 0 2 15.59 2.83 5.6845 1 1 0 4 15.59 2.75 5.6829 0 1 1 4 18.27 8.75 4.8567 1 2 0 4 18.27 8.83 4.8557 0 2 1 4 19.43 12.03 4.5674 -1 0 1 2 20.20 8.17 4.3957 -1 1 1 4 21.88 1.61 4.0615 1 0 1 2 21.96 15.50 4.0470 0 4 0 2 22.04 12.88 4.0332 1 3 0 4 22.04 13.16 4.0326 0 3 1 4 22.35 4.06 3.9777 -1 2 1 4 24.52 100.00 3.6301 1 2 1 4 25.55 65.67 3.4862 -1 3 1 4 26.47 18.45 3.3674 1 4 0 4 26.47 18.91 3.3671 0 4 1 4 29.49 28.00 3.0290 -1 4 1 4 29.95 58.14 2.9836 2 1 0 4 29.96 57.91 2.9826 0 1 2 4 31.20 6.49 2.8668 1 4 1 4 31.31 2.68 2.8568 1 5 0 4 31.31 2.59 2.8566 0 5 1 4 31.48 14.22 2.8423 2 2 0 4 31.48 14.06 2.8414 0 2 2 4 31.87 17.98 2.8082 -2 1 1 4 31.87 17.97 2.8077 -1 1 2 4 33.21 28.34 2.6980 0 6 0 2 33.31 1.35 2.6895 -2 2 1 4 33.32 1.31 2.6889 -1 2 2 4 35.00 1.64 2.5635 2 1 1 4 35.01 1.59 2.5630 1 1 2 4 35.61 4.55 2.5211 -2 3 1 4 35.62 4.50 2.5207 -1 3 2 4 36.44 9.82 2.4655 1 6 0 4 36.44 9.71 2.4654 0 6 1 4 37.02 1.09 2.4284 2 4 0 4 37.03 1.00 2.4279 0 4 2 4 38.48 1.77 2.3395 2 3 1 4 38.48 1.73 2.3392 1 3 2 4 38.76 2.15 2.3230 -1 6 1 4 39.46 8.82 2.2837 -2 0 2 2 39.87 3.56 2.2613 -2 1 2 4 40.12 2.14 2.2473 1 6 1 4 40.75 25.44 2.2144 2 5 0 4 40.75 25.37 2.2141 0 5 2 4 41.32 4.41 2.1852 2 4 1 4 41.32 4.38 2.1850 1 4 2 4 43.01 14.58 2.1031 -2 3 2 4 43.88 12.27 2.0632 -1 7 1 4 44.62 24.19 2.0308 2 0 2 2 44.79 2.03 2.0235 0 8 0 2 45.15 5.66 2.0081 3 1 0 4 45.17 5.80 2.0074 0 1 3 4 45.61 1.52 1.9889 -2 4 2 4 45.93 3.77 1.9760 -3 1 1 4 45.94 3.80 1.9754 -1 1 3 4 46.24 1.53 1.9633 3 2 0 4 46.26 1.54 1.9627 0 2 3 4 47.00 2.80 1.9332 -3 2 1 4 47.02 2.80 1.9327 -1 2 3 4 47.35 2.41 1.9197 1 8 0 4 47.36 2.39 1.9196 0 8 1 4 48.01 1.77 1.8948 3 3 0 4 48.03 1.75 1.8943 0 3 3 4 48.67 4.55 1.8708 2 6 1 4 48.68 4.53 1.8706 1 6 2 4 48.75 3.60 1.8678 -3 3 1 4 48.77 3.64 1.8673 -1 3 3 4 49.09 1.03 1.8558 3 0 1 2 49.10 1.04 1.8554 1 0 3 2 49.55 2.83 1.8396 2 7 0 4 49.56 2.81 1.8393 0 7 2 4 50.27 3.31 1.8151 2 4 2 4 50.38 10.08 1.8112 1 8 1 4 50.83 1.07 1.7961 -2 7 1 4 50.84 1.03 1.7960 -1 7 2 4 51.58 1.57 1.7718 -3 1 2 4 51.59 1.58 1.7716 -2 1 3 4 52.12 8.34 1.7549 3 3 1 4 52.13 8.27 1.7546 1 3 3 4 52.50 2.53 1.7431 -2 6 2 4 52.57 1.96 1.7408 -3 2 2 4 52.58 1.99 1.7406 -2 2 3 4 53.11 2.96 1.7246 1 9 0 4 53.11 3.04 1.7245 0 9 1 4 54.08 12.02 1.6959 -3 5 1 4 54.09 12.06 1.6955 -1 5 3 4 54.39 3.32 1.6869 3 4 1 4 54.40 3.42 1.6866 1 4 3 4 54.50 2.60 1.6837 2 8 0 4 54.51 2.62 1.6835 0 8 2 4 56.40 2.68 1.6313 -3 4 2 4 56.41 2.69 1.6311 -2 4 3 4 56.65 6.74 1.6249 -2 7 2 4 56.74 8.47 1.6225 2 6 2 4 56.88 2.92 1.6188 0 10 0 2 57.77 1.45 1.5960 2 8 1 4 57.77 1.44 1.5959 1 8 2 4 59.76 2.89 1.5474 2 9 0 4 59.77 2.90 1.5473 0 9 2 4 60.70 3.88 1.5258 -1 10 1 4 60.84 1.90 1.5225 -3 0 3 2 60.90 1.78 1.5213 -2 9 1 4 60.90 1.79 1.5212 -1 9 2 4 61.05 1.75 1.5178 4 0 0 2 61.07 1.70 1.5173 0 0 4 2 62.37 1.48 1.4888 -4 2 1 4 62.39 1.48 1.4884 -1 2 4 4 62.43 1.17 1.4876 3 4 2 4 62.43 1.23 1.4875 2 4 3 4 63.69 2.99 1.4611 4 3 0 4 63.71 2.94 1.4606 0 3 4 4 64.37 2.54 1.4474 3 7 1 4 64.38 2.57 1.4472 1 7 3 4 65.35 1.54 1.4280 4 1 1 4 65.37 1.55 1.4276 1 1 4 4 65.51 6.04 1.4250 -3 4 3 4 65.84 1.65 1.4186 -4 4 1 4 65.86 1.65 1.4182 -1 4 4 4 66.60 3.83 1.4041 -4 2 2 4 66.62 3.81 1.4038 -2 2 4 4 69.98 1.10 1.3444 3 9 0 4 69.99 1.06 1.3442 0 9 3 4 70.53 3.16 1.3353 3 2 3 4 70.57 1.95 1.3346 -3 9 1 4 70.58 1.96 1.3345 -1 9 3 4 73.14 2.23 1.2940 4 1 2 4 73.15 2.19 1.2937 2 1 4 4 74.05 2.70 1.2802 1 12 1 4 74.83 2.46 1.2689 4 7 0 4 74.85 2.45 1.2686 0 7 4 4 75.04 2.10 1.2658 2 10 2 4 78.39 1.29 1.2199 3 10 1 4 78.40 1.33 1.2198 1 10 3 4 79.56 2.09 1.2049 4 5 2 4 79.57 2.08 1.2047 2 5 4 4 79.84 1.27 1.2014 -1 13 1 4 81.30 2.04 1.1834 -3 11 1 4 81.31 2.05 1.1833 -1 11 3 4 82.72 2.22 1.1666 -5 4 1 4 82.75 2.23 1.1663 -1 4 5 4 82.82 1.78 1.1655 -4 8 2 4 82.84 1.76 1.1653 -2 8 4 4 83.63 1.33 1.1563 0 14 0 2 86.49 1.02 1.1252 3 8 3 4 88.07 3.33 1.1090 -3 10 3 4 89.40 1.62 1.0960 5 5 1 4 89.43 1.64 1.0957 1 5 5 4 89.68 1.02 1.0933 -2 13 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.