Szaibelyite Grice J D The Canadian Mineralogist 46 (2008) 671-677 Szaibelyite: Crystal structure analysis and hydrogen bonding Locality: Penobsquis, Kings County, New Brunswick, Canada _database_code_amcsd 0006191 CELL PARAMETERS: 12.5860 10.4150 3.1340 90.000 95.923 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 408.622 Density (g/cm3): 2.734 MAX. ABS. INTENSITY / VOLUME**2: 2.673529109 RIR: 0.318 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.05 3.11 8.0065 1 1 0 4 14.15 75.86 6.2594 2 0 0 2 17.03 29.28 5.2075 0 2 0 2 18.45 2.44 4.8081 1 2 0 4 22.21 4.53 4.0032 2 2 0 4 22.96 9.12 3.8736 3 1 0 4 26.65 6.85 3.3454 1 3 0 4 27.39 33.67 3.2564 3 2 0 4 28.64 10.28 3.1173 0 0 1 2 29.42 27.73 3.0360 2 3 0 4 29.81 4.14 2.9973 4 1 0 4 29.92 43.43 2.9864 0 1 1 4 30.07 4.12 2.9719 -1 1 1 4 30.69 2.30 2.9129 -2 0 1 2 31.48 7.48 2.8421 1 1 1 4 31.90 27.62 2.8053 -2 1 1 4 33.40 3.99 2.6825 4 2 0 4 33.41 23.65 2.6821 2 0 1 2 33.50 23.38 2.6747 0 2 1 4 33.58 39.25 2.6688 3 3 0 4 33.64 50.90 2.6643 -1 2 1 4 34.44 6.09 2.6037 0 4 0 2 34.53 34.23 2.5974 2 1 1 4 34.92 32.24 2.5696 1 2 1 4 35.18 9.82 2.5508 -3 1 1 4 35.31 100.00 2.5422 -2 2 1 4 36.92 52.73 2.4344 5 1 0 4 37.41 5.16 2.4041 2 4 0 4 37.73 37.70 2.3844 2 2 1 4 38.33 16.00 2.3483 -3 2 1 4 38.60 2.62 2.3322 -4 0 1 2 38.74 2.41 2.3246 4 3 0 4 38.83 66.05 2.3194 0 3 1 4 38.94 9.64 2.3127 -1 3 1 4 39.60 9.01 2.2759 -4 1 1 4 40.08 3.09 2.2499 1 3 1 4 40.42 2.29 2.2315 -2 3 1 4 40.85 55.92 2.2090 3 4 0 4 41.69 14.03 2.1664 3 2 1 4 42.47 7.33 2.1285 -4 2 1 4 42.60 4.76 2.1225 2 3 1 4 43.01 2.13 2.1028 4 0 1 2 43.14 12.02 2.0968 -3 3 1 4 43.37 51.93 2.0865 6 0 0 2 43.93 9.71 2.0612 4 1 1 4 44.07 2.01 2.0548 1 5 0 4 44.62 7.47 2.0307 5 3 0 4 45.31 19.23 2.0016 4 4 0 4 45.49 27.61 1.9940 -1 4 1 4 45.92 9.87 1.9764 2 5 0 4 46.22 8.52 1.9643 3 3 1 4 46.49 2.69 1.9534 1 4 1 4 46.58 7.83 1.9498 4 2 1 4 46.80 1.65 1.9413 -2 4 1 4 46.91 7.48 1.9368 6 2 0 4 46.93 4.28 1.9359 -4 3 1 4 47.49 5.41 1.9144 -5 2 1 4 48.74 2.35 1.8682 2 4 1 4 50.03 5.09 1.8231 -6 0 1 2 50.76 10.44 1.7986 4 3 1 4 50.85 23.74 1.7958 -6 1 1 4 51.07 1.22 1.7883 6 3 0 4 51.62 2.50 1.7707 -5 3 1 4 51.87 7.57 1.7626 7 1 0 4 52.69 5.17 1.7372 -4 4 1 4 52.86 31.41 1.7319 0 5 1 4 53.28 2.71 1.7194 1 6 0 4 53.85 3.71 1.7024 1 5 1 4 54.13 26.22 1.6944 -2 5 1 4 54.23 1.11 1.6914 7 2 0 4 54.89 1.29 1.6727 2 6 0 4 55.89 9.70 1.6451 2 5 1 4 56.22 16.74 1.6361 6 1 1 4 56.34 1.88 1.6331 -3 5 1 4 56.52 4.59 1.6282 6 4 0 4 57.03 9.44 1.6148 -5 4 1 4 57.06 28.77 1.6140 -6 3 1 4 57.38 1.77 1.6059 -7 1 1 4 57.56 7.60 1.6013 5 5 0 4 58.01 3.52 1.5898 7 3 0 4 58.46 5.56 1.5787 6 2 1 4 58.89 1.66 1.5681 3 5 1 4 59.03 2.62 1.5649 8 0 0 2 59.29 37.88 1.5586 0 0 2 2 59.63 18.96 1.5504 -2 0 2 2 59.76 1.88 1.5475 8 1 0 4 60.02 2.78 1.5415 0 1 2 4 61.04 4.89 1.5180 4 6 0 4 61.19 9.39 1.5147 -1 6 1 4 61.23 25.77 1.5138 5 4 1 4 61.92 3.10 1.4986 8 2 0 4 62.01 11.61 1.4966 1 6 1 4 62.08 23.31 1.4952 6 3 1 4 62.26 2.31 1.4911 -2 6 1 4 62.50 1.71 1.4860 -2 2 2 4 62.90 11.53 1.4775 1 7 0 4 63.88 2.65 1.4573 2 6 1 4 64.13 4.12 1.4522 -3 2 2 4 64.29 2.61 1.4489 -3 6 1 4 65.28 2.66 1.4294 7 2 1 4 65.35 1.89 1.4280 -1 3 2 4 65.42 3.48 1.4266 8 3 0 4 65.66 3.37 1.4219 0 3 2 4 65.99 3.16 1.4157 -2 3 2 4 66.50 6.50 1.4060 -8 2 1 4 66.75 4.14 1.4014 3 7 0 4 66.81 2.26 1.4003 3 1 2 4 67.99 13.42 1.3788 -7 4 1 4 67.99 1.26 1.3787 9 1 0 4 68.10 1.03 1.3769 -5 1 2 4 68.84 2.05 1.3638 3 2 2 4 69.24 3.24 1.3569 7 5 0 4 69.88 5.67 1.3460 -8 3 1 4 70.08 4.08 1.3428 0 7 1 4 70.16 1.77 1.3414 -1 7 1 4 70.17 3.15 1.3413 8 4 0 4 70.18 1.72 1.3411 4 0 2 2 70.40 2.75 1.3373 0 4 2 4 70.58 4.78 1.3344 6 6 0 4 70.92 1.18 1.3288 1 7 1 4 71.75 3.45 1.3155 -6 0 2 2 72.17 4.60 1.3088 3 3 2 4 72.25 2.85 1.3076 -3 4 2 4 72.62 3.21 1.3019 0 8 0 2 72.65 3.19 1.3014 8 2 1 4 73.08 4.70 1.2949 1 8 0 4 73.32 1.01 1.2912 9 3 0 4 73.42 3.63 1.2897 -5 3 2 4 73.97 1.19 1.2814 -9 2 1 4 74.67 3.50 1.2711 -4 4 2 4 75.68 5.67 1.2566 5 1 2 4 75.91 1.20 1.2534 8 3 1 4 76.02 3.27 1.2519 10 0 0 2 76.09 1.04 1.2510 4 3 2 4 76.47 3.91 1.2456 7 6 0 4 76.61 2.56 1.2437 -2 5 2 4 76.67 1.49 1.2429 10 1 0 4 76.68 4.41 1.2428 3 8 0 4 77.21 3.91 1.2355 -9 3 1 4 77.52 5.63 1.2314 -7 1 2 4 77.62 1.02 1.2301 5 2 2 4 77.86 4.57 1.2269 9 4 0 4 79.79 3.73 1.2020 4 8 0 4 80.15 1.04 1.1975 -10 1 1 4 80.58 2.25 1.1922 4 4 2 4 80.66 1.66 1.1911 6 0 2 2 83.10 2.82 1.1623 8 6 0 4 83.62 1.44 1.1563 -2 6 2 4 83.68 1.22 1.1557 -5 5 2 4 83.79 2.23 1.1545 9 3 1 4 85.29 1.90 1.1379 -8 2 2 4 86.35 1.18 1.1267 6 3 2 4 88.44 1.55 1.1054 -8 3 2 4 88.53 7.70 1.1045 6 8 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.