Realgar Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L, Ullrich A, Balic-Zunic T Physics and Chemistry of Minerals 39 (2012) 399-412 Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 1.55 GPa Locality: Baia Sprie mine, Romania _database_code_amcsd 0019368 CELL PARAMETERS: 9.0650 13.0300 6.3750 90.000 106.770 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 720.971 Density (g/cm3): 3.942 MAX. ABS. INTENSITY / VOLUME**2: 17.68163731 RIR: 1.461 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.25 9.71 7.2236 1 1 0 4 13.59 5.29 6.5150 0 2 0 2 15.15 47.04 5.8498 -1 0 1 2 16.03 42.21 5.5275 0 1 1 4 16.61 27.16 5.3367 -1 1 1 4 17.02 100.00 5.2104 1 2 0 4 19.93 8.62 4.4543 0 2 1 4 20.40 1.48 4.3527 -1 2 1 4 21.58 7.58 4.1174 2 1 0 4 22.50 25.06 3.9515 -2 1 1 4 22.90 4.84 3.8842 1 3 0 4 24.30 4.87 3.6621 1 2 1 4 24.65 7.73 3.6118 2 2 0 4 25.16 5.39 3.5389 0 3 1 4 25.46 12.73 3.4983 -2 2 1 4 28.79 4.08 3.1006 1 3 1 4 28.90 1.87 3.0899 -1 1 2 4 29.09 44.99 3.0699 2 3 0 4 29.26 54.69 3.0519 0 0 2 2 29.28 33.74 3.0498 1 4 0 4 29.30 4.59 3.0484 2 1 1 4 29.79 1.26 2.9993 -2 3 1 4 30.07 9.56 2.9715 0 1 2 4 30.12 45.48 2.9665 -3 0 1 2 30.91 8.57 2.8925 -3 1 1 4 31.12 28.24 2.8739 0 4 1 4 31.30 31.73 2.8582 -1 2 2 4 31.34 20.98 2.8539 -2 1 2 4 31.67 66.42 2.8252 2 2 1 4 31.68 2.91 2.8244 3 1 0 4 32.39 12.37 2.7637 0 2 2 4 33.18 15.86 2.6998 -3 2 1 4 33.59 1.56 2.6683 -2 2 2 4 33.90 13.70 2.6442 3 2 0 4 34.17 52.77 2.6239 1 4 1 4 34.42 12.10 2.6052 2 4 0 4 34.54 19.05 2.5967 1 1 2 4 35.03 10.21 2.5616 -2 4 1 4 35.96 4.79 2.4971 0 3 2 4 35.98 22.92 2.4959 1 5 0 4 36.61 2.07 2.4545 1 2 2 4 36.69 4.34 2.4497 -3 3 1 4 36.77 15.87 2.4444 -3 1 2 4 37.06 2.73 2.4261 -2 3 2 4 37.35 16.29 2.4079 3 3 0 4 37.79 20.10 2.3805 -1 5 1 4 38.07 10.17 2.3637 3 0 1 2 38.72 6.65 2.3257 3 1 1 4 38.73 13.40 2.3247 -3 2 2 4 39.60 10.29 2.2757 -1 4 2 4 39.91 3.17 2.2590 2 4 1 4 40.37 1.22 2.2341 2 5 0 4 40.50 1.47 2.2272 0 4 2 4 40.60 4.59 2.2220 3 2 1 4 40.76 2.46 2.2139 2 0 2 2 41.59 13.16 2.1717 0 6 0 2 41.62 1.73 2.1699 4 0 0 2 41.76 6.85 2.1632 3 4 0 4 41.84 13.67 2.1592 -3 3 2 4 42.22 2.07 2.1404 4 1 0 4 42.32 4.71 2.1358 -4 2 1 4 42.61 14.47 2.1216 -1 0 3 2 42.93 14.58 2.1067 1 6 0 4 43.16 3.57 2.0962 2 2 2 4 43.20 8.22 2.0940 -1 1 3 4 43.65 12.87 2.0734 -4 0 2 2 43.91 15.65 2.0620 -2 1 3 4 43.98 6.86 2.0587 4 2 0 4 44.23 4.25 2.0476 -4 1 2 4 44.27 1.40 2.0460 0 6 1 4 44.50 4.63 2.0359 -1 6 1 4 45.10 2.94 2.0103 0 1 3 4 45.62 6.35 1.9886 -2 2 3 4 45.89 4.02 1.9775 -3 4 2 4 45.93 4.59 1.9758 -4 2 2 4 46.01 1.08 1.9724 2 3 2 4 46.58 4.54 1.9499 -3 0 3 2 46.78 4.36 1.9421 2 6 0 4 46.92 1.34 1.9363 3 5 0 4 47.13 1.36 1.9285 -3 1 3 4 47.25 1.76 1.9238 -2 6 1 4 47.53 4.01 1.9131 3 4 1 4 47.71 2.11 1.9063 -1 3 3 4 48.83 1.63 1.8650 1 0 3 2 49.03 5.19 1.8580 1 5 2 4 49.36 1.55 1.8461 1 1 3 4 50.12 1.53 1.8200 1 7 0 4 50.33 4.13 1.8130 -5 0 1 2 50.52 5.09 1.8067 4 2 1 4 50.54 1.04 1.8059 4 4 0 4 50.85 4.12 1.7957 -5 1 1 4 50.92 8.16 1.7935 -1 6 2 4 50.93 10.98 1.7929 1 2 3 4 51.17 15.27 1.7853 2 6 1 4 51.34 2.96 1.7796 3 2 2 4 51.40 1.10 1.7778 -1 4 3 4 51.66 8.98 1.7694 0 6 2 4 52.20 12.27 1.7523 -3 6 1 4 52.30 2.73 1.7491 -4 4 2 4 52.38 12.18 1.7466 -5 2 1 4 52.50 1.58 1.7431 -4 1 3 4 52.70 3.12 1.7368 3 6 0 4 53.07 4.13 1.7257 0 4 3 4 53.07 10.84 1.7257 4 3 1 4 53.47 3.35 1.7137 1 3 3 4 53.67 7.38 1.7077 -4 5 1 4 53.86 2.61 1.7020 3 3 2 4 54.00 1.19 1.6982 -2 7 1 4 54.38 1.79 1.6872 2 5 2 4 54.64 3.26 1.6796 1 6 2 4 54.72 2.20 1.6774 5 2 0 4 54.87 6.56 1.6731 -3 4 3 4 54.87 3.62 1.6731 -5 3 1 4 55.59 2.32 1.6532 2 1 3 4 55.88 14.48 1.6453 -1 5 3 4 56.22 9.16 1.6362 -3 6 2 4 56.44 4.75 1.6303 -4 3 3 4 56.50 4.71 1.6287 0 8 0 2 56.74 4.01 1.6225 -4 5 2 4 56.89 15.75 1.6185 1 4 3 4 57.02 4.59 1.6152 -5 3 2 4 57.04 11.94 1.6146 2 2 3 4 57.14 1.25 1.6119 5 3 0 4 57.46 4.51 1.6037 0 5 3 4 57.58 2.40 1.6008 1 8 0 4 57.64 2.93 1.5992 3 6 1 4 57.99 2.58 1.5903 -2 0 4 2 58.24 7.29 1.5842 -5 4 1 4 58.54 2.11 1.5767 -3 7 1 4 58.80 2.71 1.5704 -2 7 2 4 58.91 1.27 1.5677 4 0 2 2 58.98 4.57 1.5661 -4 6 1 4 59.01 2.40 1.5654 3 7 0 4 59.41 1.17 1.5558 5 0 1 2 59.64 1.58 1.5503 2 6 2 4 59.75 2.58 1.5477 -4 4 3 4 59.87 5.85 1.5448 5 1 1 4 60.74 2.71 1.5249 4 5 1 4 60.77 6.18 1.5242 4 2 2 4 61.06 3.50 1.5176 -1 6 3 4 61.26 1.28 1.5132 5 2 1 4 61.61 1.79 1.5053 -2 6 3 4 61.65 1.05 1.5045 -3 2 4 4 61.87 1.86 1.4997 -4 6 2 4 62.29 3.29 1.4906 -3 7 2 4 62.61 1.07 1.4837 2 4 3 4 63.08 2.93 1.4737 -6 1 2 4 63.27 5.34 1.4698 -6 2 1 4 63.62 6.28 1.4625 -4 0 4 2 63.63 3.00 1.4624 3 7 1 4 64.07 2.97 1.4533 -4 1 4 4 64.19 2.44 1.4509 -3 6 3 4 64.47 5.08 1.4454 2 8 1 4 64.89 1.57 1.4369 0 8 2 4 65.29 2.21 1.4291 -2 4 4 4 65.35 1.14 1.4280 1 9 0 4 65.48 4.44 1.4254 1 1 4 4 65.50 4.11 1.4251 -6 3 1 4 65.52 2.23 1.4247 2 7 2 4 66.15 7.76 1.4126 4 4 2 4 66.38 2.19 1.4082 -5 4 3 4 66.62 5.38 1.4039 5 4 1 4 66.63 1.94 1.4037 -6 3 2 4 66.80 1.44 1.4005 1 2 4 4 66.87 1.19 1.3992 -1 7 3 4 66.99 3.32 1.3969 -3 4 4 4 67.39 1.29 1.3895 -2 7 3 4 67.50 1.10 1.3876 1 8 2 4 68.30 1.98 1.3734 0 7 3 4 68.30 5.14 1.3734 2 9 0 4 69.18 1.30 1.3579 -5 6 2 4 69.21 1.64 1.3575 -2 5 4 4 70.03 1.97 1.3435 5 1 2 4 71.31 2.13 1.3226 5 2 2 4 71.61 3.50 1.3177 -1 9 2 4 71.67 1.12 1.3168 0 5 4 4 72.90 2.41 1.2975 -2 9 2 4 73.46 1.82 1.2891 -6 5 2 4 74.01 3.39 1.2808 -4 8 2 4 74.38 1.76 1.2754 -4 5 4 4 74.45 2.28 1.2743 0 10 1 4 74.82 2.09 1.2689 -2 1 5 4 74.97 1.89 1.2669 6 3 1 4 76.07 1.84 1.2512 -2 2 5 4 76.95 1.15 1.2390 -6 6 1 4 76.98 2.54 1.2386 -6 1 4 4 77.54 1.96 1.2311 4 8 1 4 78.35 1.43 1.2204 -4 1 5 4 78.53 1.95 1.2181 7 2 0 4 79.69 1.13 1.2032 -5 5 4 4 80.26 1.34 1.1962 -6 3 4 4 80.55 3.10 1.1925 3 2 4 4 81.61 1.52 1.1797 -4 3 5 4 81.80 2.36 1.1774 -3 4 5 4 83.09 1.12 1.1624 -3 9 3 4 83.61 1.23 1.1565 3 7 3 4 84.15 1.55 1.1505 -5 6 4 4 84.45 1.01 1.1472 4 9 1 4 84.61 1.86 1.1453 1 2 5 4 85.47 2.14 1.1360 1 7 4 4 85.91 2.05 1.1313 -5 9 1 4 85.97 1.05 1.1307 6 6 1 4 86.14 1.55 1.1289 -4 10 1 4 88.43 1.05 1.1055 -2 10 3 4 89.09 2.46 1.0990 -7 3 4 4 89.20 1.14 1.0979 -2 11 2 4 89.27 2.19 1.0973 0 10 3 4 89.69 1.37 1.0932 5 7 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.