Rankinite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140775 Saburi S, Kusachi I, Henmi C, Kawahara A, Henmi K, Kawada I Mineralogical Journal 8 (1976) 240-246 Refinement of the structure of rankinite _database_code_amcsd 0014417 CELL PARAMETERS: 10.5560 8.8970 7.8630 90.000 119.540 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00867 0.05871 0.28957 1.000 2.670 Ca 0.16829 0.57424 0.20934 1.000 2.400 Ca 0.34078 0.90736 0.28490 1.000 2.470 Si 0.09055 0.21502 0.98429 1.000 2.400 Si 0.29602 0.23395 0.43206 1.000 2.380 O 0.35625 0.39730 0.42113 1.000 2.590 O 0.17948 0.23873 0.50723 1.000 2.700 O 0.40989 0.10295 0.54763 1.000 2.720 O 0.20191 0.15519 0.20980 1.000 2.700 O 0.09903 0.39489 0.97373 1.000 2.730 O 0.14429 0.14102 0.84624 1.000 2.710 O 0.92820 0.16241 0.93207 1.000 2.980 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 4.469996332 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.94 3.53 6.8409 0 0 1 13.86 9.10 6.3901 1 1 0 16.35 24.27 5.4231 0 1 1 17.15 18.09 5.1706 -2 0 1 19.33 7.17 4.5919 2 0 0 19.86 49.13 4.4705 -2 1 1 21.78 24.00 4.0805 2 1 0 22.20 11.29 4.0036 1 2 0 23.21 59.13 3.8331 -1 2 1 23.56 29.44 3.7764 -2 0 2 24.96 14.16 3.5675 -1 1 2 26.05 2.33 3.4205 0 0 2 26.43 26.15 3.3722 -2 2 1 27.92 18.87 3.1951 2 2 0 27.95 39.73 3.1926 0 1 2 28.14 74.10 3.1710 1 2 1 28.25 16.61 3.1594 2 0 1 29.72 65.77 3.0063 -3 1 2 30.01 27.95 2.9772 2 1 1 30.51 7.84 2.9301 -1 2 2 30.89 77.40 2.8947 3 1 0 31.71 2.57 2.8222 1 3 0 32.43 27.51 2.7605 -1 3 1 32.47 7.40 2.7574 -3 2 1 32.92 24.95 2.7210 0 3 1 33.03 100.00 2.7116 0 2 2 34.21 6.98 2.6210 -2 0 3 34.54 1.10 2.5968 -4 0 1 34.70 37.90 2.5853 -4 0 2 34.83 30.52 2.5758 2 2 1 34.88 35.07 2.5726 -2 3 1 35.60 1.84 2.5218 3 2 0 35.71 52.71 2.5142 -2 1 3 36.03 13.23 2.4928 -4 1 1 36.05 1.93 2.4913 2 3 0 36.18 2.24 2.4826 -4 1 2 36.22 1.97 2.4798 1 3 1 37.11 3.95 2.4225 -3 1 3 38.10 16.48 2.3619 1 2 2 38.14 3.94 2.3594 -1 3 2 38.60 1.18 2.3324 -2 3 2 39.24 9.73 2.2960 4 0 0 39.66 9.74 2.2723 -4 0 3 39.77 1.91 2.2664 -3 3 1 39.88 1.50 2.2606 2 0 2 40.56 5.72 2.2243 0 4 0 40.99 5.50 2.2016 -4 1 3 41.13 2.55 2.1947 -1 2 3 41.20 6.86 2.1911 -3 2 3 41.55 6.30 2.1734 -3 3 2 41.77 22.77 2.1623 2 3 1 41.79 3.49 2.1618 1 4 0 42.36 19.65 2.1337 -1 4 1 42.44 5.77 2.1300 3 3 0 42.75 2.40 2.1153 0 4 1 42.97 14.89 2.1049 3 2 1 44.14 2.12 2.0517 -5 1 2 44.33 6.48 2.0432 -2 4 1 44.61 1.75 2.0310 1 3 2 45.45 26.83 1.9958 1 4 1 46.23 20.51 1.9639 -2 3 3 46.48 9.87 1.9537 -4 3 1 46.61 1.68 1.9488 -4 3 2 46.65 1.47 1.9471 -2 0 4 46.66 3.70 1.9466 1 1 3 46.85 3.46 1.9392 -5 1 3 47.30 1.78 1.9217 -1 3 3 47.36 1.37 1.9193 -3 3 3 47.44 7.70 1.9165 -2 4 2 47.50 29.68 1.9143 -3 1 4 47.59 2.93 1.9109 4 0 1 47.73 1.15 1.9053 -5 2 2 48.74 9.18 1.8683 4 1 1 48.84 7.69 1.8647 0 4 2 49.04 24.35 1.8575 -5 2 1 49.86 18.04 1.8288 3 1 2 50.11 23.87 1.8203 1 2 3 50.27 5.41 1.8149 -1 1 4 50.29 27.04 1.8142 -5 2 3 50.61 1.77 1.8037 -4 3 3 50.78 6.78 1.7979 2 3 2 50.91 1.29 1.7938 -3 2 4 51.21 2.18 1.7837 -2 2 4 52.05 11.28 1.7569 -6 0 2 52.09 1.56 1.7558 4 2 1 52.37 6.01 1.7469 1 5 0 52.65 1.78 1.7385 1 4 2 52.66 8.01 1.7381 -4 2 4 52.86 2.63 1.7320 -1 5 1 52.91 8.39 1.7305 2 0 3 53.14 3.92 1.7235 -6 0 3 53.17 1.65 1.7225 -5 1 4 53.59 8.94 1.7102 0 0 4 54.21 5.88 1.6921 -6 1 3 54.54 4.60 1.6826 -2 5 1 54.65 2.75 1.6795 0 1 4 55.10 1.17 1.6669 -3 4 3 55.50 1.03 1.6558 1 5 1 56.30 8.60 1.6341 -6 2 2 56.53 4.62 1.6280 3 4 1 56.54 1.06 1.6277 -2 3 4 57.23 1.04 1.6097 -2 5 2 57.33 5.42 1.6071 -6 2 3 57.36 8.85 1.6063 4 3 1 57.71 3.86 1.5975 4 4 0 57.72 2.39 1.5971 -6 0 4 57.89 1.61 1.5928 -4 3 4 58.19 2.45 1.5855 2 4 2 58.47 1.13 1.5786 0 5 2 58.73 3.50 1.5722 -6 2 1 59.07 1.36 1.5639 5 1 1 59.43 1.02 1.5554 4 1 2 59.46 3.79 1.5545 -3 5 2 59.63 3.23 1.5504 2 5 1 59.80 1.44 1.5465 -3 1 5 60.15 3.83 1.5384 3 5 0 60.16 1.67 1.5382 -4 1 5 60.32 1.98 1.5345 -2 0 5 60.48 3.59 1.5306 6 0 0 60.67 5.03 1.5265 1 1 4 61.33 2.49 1.5116 -6 3 2 61.62 4.53 1.5051 -5 4 1 62.31 1.65 1.4902 -6 3 3 62.35 1.30 1.4893 -5 1 5 62.51 1.56 1.4859 3 1 3 62.54 2.68 1.4851 1 4 3 62.65 7.35 1.4828 0 6 0 62.70 5.87 1.4818 -5 4 3 62.71 2.77 1.4815 0 3 4 63.09 1.30 1.4736 -4 2 5 63.16 9.12 1.4722 -2 5 3 63.23 4.04 1.4706 -3 4 4 63.50 1.59 1.4651 -2 4 4 63.56 2.26 1.4639 1 6 0 64.03 1.94 1.4541 -1 5 3 64.28 2.30 1.4492 0 6 1 64.37 3.78 1.4474 6 2 0 64.76 1.89 1.4395 -4 4 4 65.23 1.59 1.4304 -5 2 5 65.33 1.11 1.4283 -6 0 5 65.55 1.35 1.4241 -1 4 4 66.28 1.47 1.4102 -6 1 5 66.48 3.47 1.4065 4 5 0 66.67 1.11 1.4028 0 5 3 66.92 1.32 1.3982 2 5 2 68.00 2.04 1.3787 -6 4 2 68.10 3.09 1.3768 2 1 4 68.90 5.36 1.3629 -2 3 5 68.92 1.20 1.3624 -6 4 3 69.07 4.05 1.3599 -5 5 2 69.19 2.54 1.3579 6 0 1 69.95 2.04 1.3450 -3 6 2 70.19 1.86 1.3409 -6 4 1 71.12 1.48 1.3255 -5 5 3 71.62 3.39 1.3175 -3 5 4 72.00 1.14 1.3116 -1 3 5 72.07 4.82 1.3105 -4 0 6 72.60 1.72 1.3022 4 5 1 73.49 2.22 1.2887 3 5 2 73.65 1.38 1.2863 -4 6 2 73.86 1.17 1.2831 -5 1 6 74.12 1.43 1.2792 -8 1 4 74.18 1.64 1.2784 -1 6 3 74.22 1.12 1.2777 -3 6 3 74.81 1.38 1.2691 4 2 3 75.34 1.17 1.2615 -2 0 6 75.45 2.61 1.2599 3 6 1 76.18 1.95 1.2496 -5 4 5 76.23 2.40 1.2490 -2 1 6 76.44 1.27 1.2461 -3 2 6 76.56 2.41 1.2444 -7 4 3 77.28 1.70 1.2346 6 3 1 78.06 1.77 1.2242 -8 1 1 78.60 2.76 1.2171 1 2 5 78.80 1.96 1.2146 -8 1 5 79.23 3.84 1.2091 4 3 3 79.51 1.12 1.2055 -8 -3 3 80.05 1.06 1.1987 -4 3 6 80.38 3.82 1.1947 6 0 2 80.58 1.40 1.1921 -7 1 6 81.51 2.05 1.1809 -3 7 2 82.10 3.23 1.1738 3 7 0 82.56 4.43 1.1685 1 5 4 84.64 1.10 1.1450 7 2 1 85.56 1.41 1.1351 -1 7 3 85.75 1.45 1.1331 -8 -3 5 86.96 1.11 1.1204 0 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.