Rongibbsite Cell parameters refined from single crystal data of R100031 CELL PARAMETERS: 12.6020 13.9130 7.8356 90.000 125.463 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.15598 0.15580 0.25370 1.000 1.527 Pb 0.13915 0.18678 0.22208 1.000 1.173 Si -0.03690 0.38676 0.15705 1.000 0.852 Si 0.00000 0.25274 0.50000 1.000 0.931 Si 0.16026 0.10793 0.83819 1.000 0.831 O 0.00945 0.50000 0.22108 1.000 1.366 O 0.00000 0.34344 0.00000 1.000 1.549 O -0.19447 0.37431 0.04604 1.000 1.517 O 0.04070 0.31973 0.37293 1.000 1.245 O 0.12770 0.18280 0.65376 1.000 1.197 O 0.15043 0.00000 0.75146 1.000 1.390 OH 0.06285 0.12442 -0.09599 1.000 1.298 Wa 0.21609 0.00000 0.34655 1.000 2.842 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 12 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 181.7384954 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.71 40.42 8.2597 1 1 0 12.73 66.56 6.9565 0 2 0 12.98 48.90 6.8206 -1 1 1 13.88 4.64 6.3820 0 0 1 14.58 100.00 6.0755 -2 0 1 17.28 2.68 5.1321 2 0 0 19.40 34.91 4.5760 -2 2 1 21.02 41.08 4.2263 1 3 0 21.20 15.58 4.1914 1 1 1 22.28 70.75 3.9897 -1 3 1 22.73 6.00 3.9127 -2 0 2 24.78 7.06 3.5935 -1 1 2 25.59 32.57 3.4812 -3 1 2 25.61 11.59 3.4783 0 4 0 26.13 9.29 3.4103 -2 2 2 26.83 28.46 3.3224 3 1 0 27.92 24.37 3.1953 2 0 1 27.96 34.56 3.1910 0 0 2 27.97 30.74 3.1903 1 3 1 28.70 4.57 3.1109 -3 3 1 29.01 11.00 3.0778 -4 0 1 29.24 2.47 3.0541 0 4 1 29.40 19.20 3.0377 -4 0 2 29.59 5.01 3.0186 -2 4 1 30.79 19.63 2.9036 2 2 1 30.81 9.84 2.9017 -1 3 2 30.83 9.75 2.9004 0 2 2 31.48 46.31 2.8416 -3 3 2 31.79 4.69 2.8146 -4 2 1 32.15 8.56 2.7839 -4 2 2 32.52 40.95 2.7532 3 3 0 33.36 4.97 2.6857 1 5 0 34.20 9.80 2.6218 -1 5 1 34.54 3.08 2.5968 1 1 2 34.97 11.24 2.5661 4 0 0 35.06 18.16 2.5595 -2 0 3 35.95 8.14 2.4979 -4 0 3 37.35 6.51 2.4075 4 2 0 37.44 6.09 2.4020 -2 2 3 38.01 5.56 2.3673 -5 1 1 38.25 1.22 2.3531 2 4 1 38.28 3.58 2.3514 0 4 2 38.28 4.34 2.3511 1 5 1 38.29 4.23 2.3509 -4 2 3 38.46 4.06 2.3409 -1 1 3 38.84 10.61 2.3188 0 6 0 39.08 1.07 2.3050 -4 4 1 39.23 14.76 2.2965 1 3 2 39.38 1.32 2.2880 -4 4 2 40.09 4.77 2.2489 -5 1 3 41.01 7.99 2.2006 -3 5 2 41.34 3.07 2.1842 3 3 1 41.69 15.96 2.1664 -2 6 1 41.85 5.94 2.1588 3 5 0 42.37 19.58 2.1331 -5 3 1 42.78 17.12 2.1138 -1 3 3 42.79 1.29 2.1131 2 6 0 43.13 10.93 2.0973 -6 0 2 43.84 1.73 2.0649 4 4 0 43.92 2.95 2.0615 -2 4 3 44.29 13.28 2.0453 -5 3 3 44.66 1.58 2.0289 -4 4 3 44.75 1.11 2.0252 -6 0 3 45.08 1.62 2.0110 4 0 1 45.15 2.69 2.0080 -6 2 2 45.47 2.38 1.9948 -2 6 2 46.29 2.41 1.9613 -6 0 1 46.41 2.87 1.9564 -4 0 4 46.72 1.44 1.9444 -6 2 3 47.31 3.41 1.9214 -3 1 4 47.44 3.95 1.9164 1 5 2 48.21 2.16 1.8877 -6 2 1 48.51 8.39 1.8767 2 6 1 48.53 10.07 1.8759 0 6 2 48.95 1.24 1.8609 1 1 3 48.98 1.92 1.8599 -2 0 4 49.20 2.51 1.8520 -4 6 1 49.45 4.53 1.8432 -4 6 2 49.51 2.82 1.8409 3 1 2 50.17 4.30 1.8184 -5 5 1 50.53 3.45 1.8064 -1 5 3 50.79 6.11 1.7978 -6 0 4 50.82 1.60 1.7968 -2 2 4 50.84 2.22 1.7960 -6 4 2 51.03 9.60 1.7898 -3 3 4 51.75 2.15 1.7664 -7 1 2 51.86 3.39 1.7631 -5 5 3 52.57 1.14 1.7410 4 4 1 52.58 2.97 1.7406 -6 2 4 52.58 3.74 1.7405 1 3 3 53.12 6.18 1.7241 3 3 2 53.24 4.78 1.7204 4 6 0 53.31 4.26 1.7185 -2 6 3 53.57 3.85 1.7107 6 0 0 53.95 3.79 1.6994 -4 6 3 54.91 2.58 1.6720 -2 8 1 55.15 1.50 1.6653 -7 3 3 55.25 7.35 1.6625 -7 3 2 55.30 1.19 1.6612 6 2 0 55.54 3.48 1.6547 2 0 3 55.69 1.59 1.6504 -7 1 4 57.23 2.30 1.6098 2 2 3 57.70 3.52 1.5976 4 0 2 57.79 2.45 1.5955 0 0 4 57.95 2.69 1.5914 -3 5 4 58.04 1.03 1.5892 -2 8 2 58.11 5.64 1.5873 5 3 1 58.63 3.40 1.5746 -8 0 3 59.04 4.58 1.5647 -7 3 4 59.27 2.05 1.5591 -4 0 5 59.35 2.39 1.5571 4 2 2 59.42 4.28 1.5554 -6 6 2 59.43 2.26 1.5553 -5 1 5 59.44 1.57 1.5551 0 2 4 60.26 1.89 1.5358 -8 2 3 60.62 2.25 1.5275 2 8 1 60.64 1.50 1.5271 0 8 2 60.72 1.63 1.5253 -6 6 3 60.89 1.78 1.5214 -4 2 5 60.99 1.23 1.5193 4 6 1 61.10 1.87 1.5166 -1 9 1 61.86 1.80 1.5000 -7 5 2 62.07 1.96 1.4953 -4 6 4 62.12 1.03 1.4942 2 4 3 62.65 5.52 1.4829 -5 3 5 63.83 1.37 1.4583 1 9 1 63.83 1.12 1.4582 7 1 0 64.00 1.26 1.4547 6 0 1 64.16 1.70 1.4515 -2 0 5 64.19 1.31 1.4509 -2 6 4 64.53 1.96 1.4440 5 5 1 64.76 1.61 1.4396 4 8 0 65.34 1.18 1.4281 -8 0 1 65.39 1.04 1.4273 -4 8 3 65.40 1.28 1.4270 -7 5 4 65.72 3.19 1.4208 -6 6 4 65.75 1.29 1.4202 -3 9 2 66.35 1.13 1.4088 3 9 0 66.47 1.55 1.4066 -7 3 5 66.88 1.11 1.3989 -8 2 1 66.93 4.07 1.3981 7 3 0 66.98 1.41 1.3971 3 3 3 67.01 3.03 1.3966 -8 0 5 67.52 2.27 1.3872 1 3 4 68.11 1.41 1.3766 6 6 0 69.83 2.51 1.3469 2 6 3 70.32 2.19 1.3387 -9 3 3 71.22 2.02 1.3240 -9 3 4 71.74 1.69 1.3156 4 6 2 71.82 1.98 1.3144 0 6 4 71.99 2.89 1.3117 -1 3 5 72.57 1.97 1.3027 -8 6 3 72.74 1.72 1.3000 -5 9 1 72.95 1.16 1.2967 -9 3 2 73.03 1.30 1.2956 -1 9 3 73.15 1.03 1.2938 -4 6 5 73.50 1.04 1.2885 1 5 4 74.11 1.06 1.2793 -5 9 3 75.60 1.31 1.2579 -9 3 5 77.60 1.17 1.2304 -2 6 5 78.69 1.98 1.2160 -8 6 1 78.98 1.41 1.2123 -9 3 1 80.24 1.65 1.1963 -8 6 5 85.06 1.15 1.1404 5 9 1 85.17 1.44 1.1393 5 3 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.