Pararealgar Bonazzi P, Menchetti S, Pratesi G American Mineralogist 80 (1995) 400-403 The crystal structure of pararealgar _database_code_amcsd 0001734 CELL PARAMETERS: 9.9090 9.6550 8.5020 90.000 97.290 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 806.823 Density (g/cm3): 3.523 MAX. ABS. INTENSITY / VOLUME**2: 16.72423702 RIR: 1.546 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.00 8.93 9.8289 1 0 0 2 12.85 3.34 6.8878 1 1 0 4 13.94 3.27 6.3515 0 1 1 4 15.87 78.01 5.5834 -1 1 1 4 17.33 100.00 5.1164 1 1 1 4 18.05 22.83 4.9145 2 0 0 2 18.38 18.69 4.8275 0 2 0 2 21.07 3.76 4.2166 0 0 2 2 21.21 5.96 4.1896 0 2 1 4 21.86 1.51 4.0666 -1 0 2 2 22.54 3.32 3.9448 -1 2 1 4 23.02 6.24 3.8642 0 1 2 4 23.60 21.01 3.7693 1 2 1 4 23.74 56.25 3.7477 -1 1 2 4 23.93 14.97 3.7186 2 1 1 4 24.00 5.48 3.7083 1 0 2 2 25.73 4.80 3.4618 1 1 2 4 25.87 4.17 3.4439 2 2 0 4 26.04 7.02 3.4219 -2 0 2 2 27.08 75.00 3.2924 -2 2 1 4 27.66 2.91 3.2253 -2 1 2 4 28.70 4.46 3.1101 -1 2 2 4 28.78 3.41 3.1025 3 1 0 4 28.86 34.00 3.0935 2 2 1 4 29.20 2.05 3.0585 1 3 0 4 29.46 16.94 3.0322 -3 1 1 4 29.61 28.34 3.0166 2 0 2 2 29.71 18.45 3.0068 0 3 1 4 30.39 13.14 2.9408 1 2 2 4 30.70 33.82 2.9124 -1 3 1 4 31.06 14.21 2.8793 2 1 2 4 31.51 4.31 2.8396 1 3 1 4 31.91 34.46 2.8046 3 1 1 4 32.06 64.40 2.7917 -2 2 2 4 33.19 7.57 2.6990 0 1 3 4 33.75 9.02 2.6560 -3 1 2 4 34.25 6.67 2.6181 -2 3 1 4 35.57 11.02 2.5236 -1 3 2 4 35.70 1.65 2.5147 2 3 1 4 36.57 9.64 2.4572 4 0 0 2 36.81 14.62 2.4414 3 0 2 2 36.98 4.99 2.4306 1 3 2 4 37.01 1.12 2.4292 0 2 3 4 37.14 4.07 2.4209 -1 2 3 4 37.25 2.69 2.4137 0 4 0 2 37.51 5.30 2.3977 -3 2 2 4 37.78 5.17 2.3813 4 1 0 4 37.98 1.14 2.3692 -4 1 1 4 38.02 7.77 2.3669 3 1 2 4 38.40 3.67 2.3441 1 4 0 4 38.81 13.16 2.3206 0 4 1 4 39.16 1.63 2.3003 1 2 3 4 39.24 1.75 2.2959 3 3 0 4 39.54 21.71 2.2793 -2 2 3 4 39.59 4.67 2.2763 -1 4 1 4 40.02 4.35 2.2528 2 1 3 4 40.61 1.60 2.2214 4 1 1 4 40.64 6.76 2.2201 -3 1 3 4 41.01 4.74 2.2009 2 3 2 4 41.18 2.66 2.1921 -4 1 2 4 41.22 3.98 2.1899 4 2 0 4 41.69 2.43 2.1665 2 4 0 4 42.82 6.09 2.1117 -1 3 3 4 43.16 2.74 2.0962 -3 3 2 4 43.32 1.97 2.0886 2 2 3 4 43.87 17.49 2.0636 4 2 1 4 43.96 1.65 2.0598 0 1 4 4 44.56 7.73 2.0333 -2 0 4 2 44.63 29.52 2.0302 1 3 3 4 44.80 1.05 2.0230 1 4 2 4 44.97 3.15 2.0157 -2 3 3 4 44.99 6.12 2.0147 4 0 2 2 45.11 1.42 2.0098 1 0 4 2 46.01 5.89 1.9724 -2 4 2 4 46.10 6.18 1.9688 3 1 3 4 46.13 5.98 1.9676 1 1 4 4 46.18 1.17 1.9658 5 0 0 2 46.50 6.80 1.9530 4 3 0 4 46.67 1.20 1.9463 -4 3 1 4 46.74 5.60 1.9433 3 4 0 4 47.03 1.00 1.9321 0 2 4 4 47.18 1.39 1.9263 5 1 0 4 48.02 1.06 1.8948 1 5 0 4 48.29 2.14 1.8847 2 4 2 4 48.59 2.44 1.8739 -2 2 4 4 48.88 1.02 1.8632 3 4 1 4 48.94 9.99 1.8611 -3 3 3 4 49.10 1.77 1.8554 1 2 4 4 49.14 1.54 1.8542 2 0 4 2 49.52 3.68 1.8407 -5 1 2 4 50.10 1.09 1.8209 2 1 4 4 50.10 1.08 1.8206 5 2 0 4 50.80 3.58 1.7972 2 5 0 4 51.50 2.95 1.7746 -2 5 1 4 51.68 1.41 1.7688 -1 3 4 4 51.84 3.49 1.7636 0 3 4 4 52.34 2.57 1.7479 -5 2 2 4 52.46 12.92 1.7443 -1 5 2 4 52.66 2.88 1.7380 5 2 1 4 52.90 4.65 1.7309 2 2 4 4 53.19 4.53 1.7219 4 4 0 4 53.39 5.12 1.7159 4 1 3 4 53.50 4.09 1.7127 1 5 2 4 53.56 16.16 1.7110 -4 0 4 2 53.75 6.47 1.7055 3 3 3 4 53.77 2.30 1.7047 1 3 4 4 54.28 1.70 1.6900 -5 1 3 4 54.43 2.10 1.6856 -4 3 3 4 54.61 17.39 1.6805 -5 3 1 4 54.71 1.21 1.6776 5 3 0 4 54.88 3.53 1.6730 -1 1 5 4 55.22 9.35 1.6636 3 5 0 4 55.40 1.72 1.6585 4 4 1 4 55.42 1.53 1.6580 -3 4 3 4 56.08 1.19 1.6400 4 2 3 4 56.18 1.72 1.6373 -2 1 5 4 56.67 2.11 1.6242 -6 1 1 4 56.83 3.46 1.6202 -5 3 2 4 57.11 1.11 1.6127 -4 2 4 4 57.25 1.83 1.6092 0 6 0 2 57.35 1.48 1.6066 2 3 4 4 57.73 1.72 1.5969 -6 0 2 2 57.92 6.74 1.5923 0 2 5 4 57.94 1.24 1.5917 -1 4 4 4 57.94 1.61 1.5917 0 5 3 4 58.18 1.57 1.5855 3 2 4 4 58.30 3.09 1.5827 -3 5 2 4 58.38 5.64 1.5806 0 6 1 4 58.96 2.68 1.5664 -1 6 1 4 59.12 2.28 1.5627 -3 1 5 4 59.44 3.24 1.5551 -2 4 4 4 59.60 2.65 1.5513 6 2 0 4 59.62 3.60 1.5508 6 1 1 4 60.50 1.21 1.5302 -4 4 3 4 61.07 1.54 1.5175 2 1 5 4 61.20 6.17 1.5145 3 5 2 4 62.11 1.23 1.4944 2 6 1 4 62.13 1.08 1.4939 0 3 5 4 62.75 1.00 1.4808 -5 4 2 4 63.24 2.96 1.4704 2 4 4 4 63.48 1.92 1.4655 6 0 2 2 63.54 3.23 1.4642 2 2 5 4 65.09 3.76 1.4330 -6 2 3 4 65.41 2.70 1.4267 -1 5 4 4 65.77 1.22 1.4198 2 6 2 4 65.93 1.34 1.4168 -1 0 6 2 66.53 2.58 1.4055 0 0 6 2 69.33 1.57 1.3555 6 4 0 4 69.75 1.01 1.3483 7 2 0 4 70.16 2.32 1.3415 5 1 4 4 71.77 2.43 1.3152 4 6 1 4 71.79 1.15 1.3149 -3 6 3 4 71.92 1.55 1.3129 -7 1 3 4 73.22 1.20 1.2928 1 7 2 4 75.28 1.31 1.2623 -4 4 5 4 75.96 1.17 1.2527 6 4 2 4 77.75 1.01 1.2283 -8 1 1 4 78.37 1.68 1.2201 1 7 3 4 78.59 1.05 1.2172 4 3 5 4 80.94 1.03 1.1878 7 1 3 4 82.80 1.60 1.1657 -2 8 1 4 82.93 1.01 1.1643 0 6 5 4 85.44 1.08 1.1363 -1 3 7 4 86.04 1.26 1.1300 -5 7 1 4 86.42 1.37 1.1260 -7 5 2 4 88.03 1.67 1.1095 -3 5 6 4 89.01 1.01 1.0998 6 1 5 4 89.65 1.42 1.0936 -2 8 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.