Orlandiite Demartin F, Gramaccioli C M, Pilati T The Canadian Mineralogist 41 (2003) 1147-1153 The crystal structure of orlandiite, Pb3Cl4(SeO3).H2O, a complex case of twinning and disorder _database_code_amcsd 0005881 CELL PARAMETERS: 8.1360 8.4300 9.2330 62.580 71.840 75.130 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 529.293 Density (g/cm3): 5.712 MAX. ABS. INTENSITY / VOLUME**2: 44.55293277 RIR: 2.540 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.08 33.66 7.9846 0 0 1 2 11.55 5.43 7.6609 1 0 0 2 11.93 7.26 7.4153 0 1 0 2 12.48 2.61 7.0932 0 1 1 2 13.95 8.98 6.3476 1 1 1 2 14.10 34.24 6.2807 1 0 1 2 17.73 7.33 5.0034 -1 1 0 2 17.76 22.28 4.9939 -1 0 1 2 21.85 5.07 4.0677 0 2 1 2 21.89 5.22 4.0602 1 2 1 2 22.27 100.00 3.9923 0 0 2 2 22.46 3.40 3.9578 2 1 1 2 22.68 12.84 3.9213 1 0 2 2 23.12 1.10 3.8473 -1 -1 1 2 23.22 16.17 3.8305 2 0 0 2 23.38 56.47 3.8044 2 0 1 2 23.94 44.08 3.7178 1 2 2 2 24.00 42.71 3.7077 0 2 0 2 25.11 32.76 3.5466 0 2 2 2 25.24 33.35 3.5280 1 2 0 2 26.66 1.74 3.3437 -1 1 2 2 27.39 75.24 3.2566 -1 2 1 2 27.42 1.46 3.2525 -1 0 2 2 27.49 73.61 3.2451 2 2 1 2 28.02 74.96 3.1848 -2 0 1 2 28.11 19.30 3.1746 -1 2 0 2 28.12 19.60 3.1738 2 2 2 2 28.42 10.88 3.1404 2 0 2 2 29.29 3.81 3.0491 1 1 3 2 29.48 3.35 3.0300 0 -1 2 2 30.37 2.47 2.9436 1 2 3 2 30.44 3.65 2.9370 1 -1 2 2 30.50 2.30 2.9308 0 -2 1 2 30.63 1.75 2.9190 0 1 3 2 31.07 6.76 2.8780 -1 2 2 2 31.24 6.40 2.8628 2 2 0 2 32.27 2.11 2.7742 0 2 3 2 32.35 1.03 2.7675 1 3 2 2 32.45 1.98 2.7588 -1 -2 1 2 32.51 2.48 2.7541 2 1 3 2 32.90 40.13 2.7220 2 2 3 2 32.98 40.70 2.7163 1 -2 1 2 33.03 1.20 2.7118 -1 -1 2 2 33.04 1.30 2.7108 1 0 3 2 33.67 24.40 2.6615 0 0 3 2 34.37 2.52 2.6090 3 0 1 2 35.07 1.05 2.5585 2 3 2 2 35.14 30.12 2.5536 3 0 0 2 35.57 1.11 2.5236 2 -1 2 2 35.90 4.73 2.5017 -2 2 0 2 35.95 5.02 2.4978 3 2 2 2 35.97 2.51 2.4969 -2 0 2 2 36.18 12.92 2.4828 -2 2 1 2 36.31 13.22 2.4743 3 2 1 2 36.51 21.19 2.4612 2 0 3 2 37.27 1.05 2.4123 3 0 2 2 37.73 1.52 2.3840 -1 3 1 2 38.02 39.12 2.3667 -1 2 3 2 38.22 6.81 2.3549 -1 0 3 2 38.23 38.56 2.3541 -2 -2 1 2 39.12 9.66 2.3027 3 2 3 2 39.13 9.44 2.3020 2 -2 1 2 39.25 24.68 2.2951 1 2 4 2 39.29 1.29 2.2930 3 1 3 2 39.43 23.98 2.2853 0 -2 2 2 39.62 1.30 2.2747 3 -1 1 2 40.55 4.16 2.2249 2 2 4 2 40.67 4.11 2.2184 1 -2 2 2 41.56 6.91 2.1732 0 2 4 2 41.77 7.12 2.1626 -1 -2 2 2 42.91 41.87 2.1075 1 4 2 2 43.21 11.92 2.0936 3 0 3 2 43.61 1.58 2.0753 3 -1 2 2 44.23 5.69 2.0476 1 0 4 2 44.55 1.27 2.0339 0 4 2 2 44.64 1.44 2.0301 2 4 2 2 45.12 1.13 2.0094 4 1 2 2 45.18 5.22 2.0069 3 2 4 2 45.25 4.99 2.0040 2 -2 2 2 45.44 7.56 1.9961 0 0 4 2 45.69 14.89 1.9859 -2 0 3 2 45.77 10.91 1.9826 -3 2 0 2 45.86 10.77 1.9789 4 2 2 2 46.18 7.06 1.9657 4 0 1 2 46.31 6.51 1.9607 2 0 4 2 46.33 6.90 1.9599 -3 0 2 2 46.41 2.81 1.9566 -2 2 3 2 46.63 2.97 1.9478 -3 -2 1 2 46.69 3.10 1.9456 0 4 3 2 46.69 5.25 1.9454 -3 2 1 2 46.71 1.10 1.9447 -1 1 4 2 46.84 5.26 1.9397 4 2 1 2 46.89 2.77 1.9378 2 4 1 2 47.02 2.16 1.9327 -1 2 4 2 47.25 2.10 1.9236 -2 -2 2 2 47.47 8.20 1.9152 4 0 0 2 47.78 4.11 1.9036 3 -2 1 2 47.81 4.13 1.9024 4 2 3 2 47.82 6.06 1.9022 4 0 2 2 48.76 11.24 1.8677 1 4 4 2 48.98 11.28 1.8597 1 4 0 2 49.00 1.27 1.8589 2 4 4 2 49.15 1.19 1.8538 0 4 0 2 49.42 8.21 1.8444 -1 4 1 2 49.46 8.44 1.8426 3 4 3 2 49.56 2.55 1.8391 1 2 5 2 49.77 2.43 1.8322 0 -2 3 2 50.43 10.70 1.8095 -3 2 2 2 50.63 10.62 1.8031 4 2 0 2 51.90 9.51 1.7616 -1 4 3 2 52.16 9.66 1.7534 3 4 1 2 52.17 8.14 1.7533 4 0 3 2 52.25 2.11 1.7509 3 4 4 2 52.31 2.02 1.7490 -1 4 0 2 52.45 2.76 1.7445 4 2 4 2 52.48 2.78 1.7437 3 -2 2 2 53.37 1.41 1.7167 3 2 5 2 53.48 1.39 1.7133 2 -2 3 2 54.92 1.78 1.6718 -2 2 4 2 55.17 1.71 1.6650 -3 -2 2 2 55.47 3.63 1.6564 1 4 5 2 55.78 3.55 1.6481 -1 -4 1 2 56.12 1.03 1.6389 1 0 5 2 56.52 4.74 1.6283 -2 4 2 2 56.59 1.41 1.6263 -2 0 4 2 56.74 4.51 1.6226 4 4 2 2 57.00 2.43 1.6156 -4 2 0 2 57.12 2.52 1.6127 5 2 2 2 57.28 5.96 1.6084 2 0 5 2 57.42 3.35 1.6048 -1 2 5 2 57.50 5.07 1.6028 3 4 5 2 57.66 5.02 1.5988 1 -4 1 2 57.67 3.32 1.5984 -2 -2 3 2 57.73 1.17 1.5969 0 0 5 2 57.91 6.57 1.5924 -4 0 2 2 58.62 2.50 1.5749 0 4 5 2 58.81 2.70 1.5702 4 0 4 2 58.98 2.36 1.5660 -2 -4 1 2 59.34 1.68 1.5574 4 2 5 2 59.41 1.65 1.5557 3 -2 3 2 59.55 1.95 1.5524 5 0 2 2 60.42 1.92 1.5322 5 0 0 2 60.75 1.95 1.5245 2 2 6 2 60.94 1.94 1.5203 1 -2 4 2 60.95 4.13 1.5200 1 2 6 2 61.18 4.10 1.5150 0 -2 4 2 61.73 1.22 1.5027 4 -2 2 2 61.74 1.23 1.5024 5 2 4 2 61.98 5.89 1.4973 -1 0 5 2 62.50 2.73 1.4861 4 4 5 2 62.58 2.65 1.4844 2 -4 1 2 63.17 1.20 1.4718 2 4 6 2 63.18 4.39 1.4716 3 2 6 2 63.33 4.27 1.4685 2 -2 4 2 63.48 1.16 1.4654 0 -4 2 2 64.09 2.94 1.4530 1 4 6 2 64.26 3.31 1.4495 -1 4 5 2 64.46 4.31 1.4456 -5 0 1 2 64.46 2.98 1.4455 -1 -4 2 2 64.68 3.38 1.4412 -3 -4 1 2 64.71 7.23 1.4405 -3 2 4 2 64.78 2.09 1.4392 -3 4 1 2 64.79 2.13 1.4390 -2 4 4 2 64.85 2.46 1.4378 3 4 6 2 64.95 2.18 1.4357 5 4 3 2 64.97 7.20 1.4354 -4 -2 2 2 65.08 2.36 1.4332 1 -4 2 2 65.17 2.04 1.4314 4 4 0 2 65.53 1.95 1.4245 -3 0 4 2 65.77 3.10 1.4199 -3 4 2 2 66.03 3.19 1.4148 5 4 2 2 66.14 1.98 1.4128 -3 4 0 2 66.22 2.03 1.4113 5 4 4 2 67.35 4.47 1.3904 4 0 5 2 67.50 3.01 1.3877 5 2 5 2 67.53 2.91 1.3870 4 -2 3 2 67.71 2.94 1.3837 2 6 4 2 67.80 2.76 1.3822 1 6 2 2 68.58 1.82 1.3684 -2 0 5 2 69.30 2.30 1.3559 0 6 3 2 69.33 2.69 1.3554 2 0 6 2 69.45 1.98 1.3534 -5 2 0 2 69.45 2.20 1.3534 3 6 3 2 69.58 2.01 1.3512 6 2 2 2 69.77 3.40 1.3479 5 4 5 2 69.78 3.27 1.3478 3 -4 1 2 69.94 1.24 1.3451 5 -2 1 2 70.03 1.24 1.3436 6 2 3 2 71.22 2.34 1.3240 -5 2 1 2 71.40 2.35 1.3211 6 2 1 2 72.24 2.58 1.3078 3 6 5 2 72.28 1.09 1.3071 3 0 6 2 72.36 2.70 1.3059 0 6 1 2 72.45 1.77 1.3045 6 0 2 2 72.68 2.28 1.3009 5 -2 2 2 72.73 2.33 1.3002 6 2 4 2 73.43 3.86 1.2895 1 2 7 2 73.68 3.78 1.2858 0 -2 5 2 74.01 1.72 1.2809 3 4 7 2 74.14 1.66 1.2789 -1 6 3 2 74.32 1.73 1.2763 1 -4 3 2 74.38 1.77 1.2754 4 6 3 2 74.50 2.26 1.2736 -3 4 4 2 74.88 1.12 1.2681 6 0 3 2 74.93 2.36 1.2674 5 4 0 2 75.17 1.15 1.2639 -1 0 6 2 75.20 1.36 1.2635 -5 2 2 2 75.24 3.29 1.2630 0 6 5 2 75.42 1.37 1.2604 6 2 0 2 75.64 3.22 1.2572 3 6 1 2 76.05 2.63 1.2514 2 6 6 2 76.07 1.02 1.2512 4 6 5 2 76.40 2.53 1.2467 1 6 0 2 78.09 1.82 1.2238 0 4 7 2 78.51 1.50 1.2183 4 2 7 2 78.58 1.79 1.2174 -2 -4 3 2 78.66 1.48 1.2163 3 -2 5 2 78.79 2.08 1.2147 -5 0 3 2 79.46 2.01 1.2061 6 0 4 2 80.39 1.43 1.1945 -4 4 3 2 80.59 1.58 1.1920 -2 6 2 2 80.78 1.38 1.1897 6 4 1 2 81.28 1.77 1.1837 -5 2 3 2 81.31 1.20 1.1833 -2 4 6 2 81.53 1.79 1.1806 -6 -2 1 2 81.83 1.16 1.1771 -4 -4 2 2 81.95 1.24 1.1757 -1 2 7 2 82.25 1.25 1.1721 -2 -2 5 2 83.16 1.66 1.1616 5 4 7 2 83.34 1.62 1.1596 3 -4 3 2 84.01 1.06 1.1520 -2 6 4 2 84.13 1.18 1.1507 -1 4 7 2 84.51 2.15 1.1465 6 2 6 2 84.55 2.15 1.1460 5 -2 4 2 84.67 1.22 1.1447 -3 -4 3 2 84.87 1.22 1.1425 5 2 7 2 84.98 1.18 1.1413 4 -2 5 2 85.30 1.19 1.1379 1 -4 4 2 85.46 1.12 1.1361 -6 2 1 2 85.66 1.13 1.1340 7 2 1 2 86.09 1.34 1.1295 -3 2 6 2 86.40 1.35 1.1261 -4 -2 4 2 87.45 1.09 1.1153 2 -2 6 2 89.55 1.90 1.0945 4 0 7 2 89.60 1.13 1.0941 0 6 7 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.