Vastmanlandite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110171 Holtstam D, Kolitsch U, Andersson U B European Journal of Mineralogy 17 (2005) 129-141 Vastmanlandite-(Ce) - a new lanthanide- and F-bearing sorosilicate mineral from Vastmanland, Sweden: description, crystal structure, and relation to gatelite-(Ce) Locality: Vastmanland, Sweden _database_code_amcsd 0007088 CELL PARAMETERS: 8.9480 5.7430 15.8820 90.000 94.590 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Ce 0.85943 0.75000 0.25017 1.000 0.856 Ce 0.58997 0.25000 0.16558 1.000 0.752 Ce 0.77129 0.72000 0.00960 0.500 0.869 Ca 0.18223 0.75000 0.40937 0.922 0.869 Ce 0.18223 0.75000 0.40937 0.078 0.869 Mg 0.50000 0.50000 0.50000 0.812 0.505 Fe 0.50000 0.50000 0.50000 0.188 0.505 Mg 0.68719 0.25000 0.37631 0.746 0.711 Fe 0.68719 0.25000 0.37631 0.254 0.711 Al 0.22646 0.50080 0.20392 0.964 0.553 Fe 0.22646 0.50080 0.20392 0.036 0.553 Si 0.82068 0.75000 0.47627 1.000 0.505 Si 0.03461 0.25000 0.33421 1.000 0.474 Si 0.50998 0.75000 0.31233 1.000 0.442 Si 0.93385 0.25000 0.10290 1.000 0.616 Si 0.42363 0.75000 0.07729 1.000 0.497 O 0.72300 0.50740 0.47890 1.000 0.790 O 0.61300 0.52430 0.29111 1.000 0.711 O 0.11040 0.48590 0.29840 1.000 0.821 O 0.54160 0.25000 0.59020 1.000 0.687 O 0.34600 0.75000 0.25650 1.000 0.734 O 0.92090 0.75000 0.39730 1.000 0.853 O 0.85970 0.25000 0.30660 1.000 1.398 O 0.06590 0.25000 0.43690 1.000 1.232 O 0.34201 0.51000 0.10830 1.000 0.947 O 0.89150 0.75000 0.85300 1.000 0.711 O 0.83860 0.47440 0.13160 1.000 1.271 O 0.95210 0.32730 0.00490 0.500 1.042 O 0.41660 0.75000 0.97700 1.000 2.771 O 0.59490 0.75000 0.11730 1.000 1.769 OH 0.35000 0.25000 0.24610 1.000 0.671 OH 0.10330 0.75000 0.16200 1.000 0.671 O 0.47920 0.25000 0.41700 0.539 0.371 F 0.47920 0.25000 0.41700 0.461 0.371 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 5 +/- 14 MAX. ABS. INTENSITY / VOLUME**2: 26.09635177 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 5.58 79.81 15.8311 0 0 1 10.99 23.22 8.0513 -1 0 1 11.18 5.10 7.9155 0 0 2 11.77 7.91 7.5178 1 0 1 14.35 4.97 6.1706 -1 0 2 16.42 1.12 5.3987 0 1 1 16.80 1.19 5.2770 0 0 3 18.37 8.65 4.8286 1 1 0 18.84 11.08 4.7098 -1 0 3 18.98 32.70 4.6754 -1 1 1 19.09 11.67 4.6484 0 1 2 19.91 2.49 4.4597 2 0 0 20.23 3.75 4.3903 1 0 3 20.25 1.88 4.3851 -2 0 1 21.12 3.85 4.2056 2 0 1 21.13 9.34 4.2039 -1 1 2 22.08 3.70 4.0256 -2 0 2 22.46 6.43 3.9578 0 0 4 22.89 4.09 3.8857 0 1 3 23.67 1.29 3.7589 2 0 2 24.44 1.15 3.6418 -1 1 3 25.28 45.88 3.5224 2 1 0 25.34 4.01 3.5148 1 0 4 25.54 23.14 3.4879 1 1 3 26.26 8.48 3.3931 2 1 1 27.05 10.49 3.2964 -2 1 2 27.19 4.24 3.2793 2 0 3 27.37 3.82 3.2589 0 1 4 28.18 1.32 3.1662 0 0 5 28.38 1.24 3.1451 2 1 2 28.53 5.01 3.1281 -1 1 4 28.94 20.13 3.0853 -2 0 4 29.59 3.89 3.0191 -2 1 3 29.80 100.00 2.9979 1 1 4 30.06 8.91 2.9731 3 0 0 30.14 2.97 2.9654 -3 0 1 31.05 7.57 2.8805 3 0 1 31.15 44.53 2.8715 0 2 0 31.28 2.55 2.8596 -3 0 2 31.67 4.70 2.8254 0 2 1 32.29 31.66 2.7727 0 1 5 32.96 8.63 2.7179 -2 1 4 33.02 3.48 2.7127 3 0 2 33.12 20.31 2.7046 -1 2 1 33.37 27.42 2.6851 -2 0 5 33.39 2.67 2.6838 -3 0 3 33.40 1.95 2.6825 1 2 1 33.95 7.99 2.6403 3 1 0 33.98 1.67 2.6385 0 0 6 34.03 57.13 2.6349 -3 1 1 34.84 1.40 2.5748 3 1 1 34.99 5.14 2.5643 1 2 2 35.05 1.26 2.5598 -3 1 2 35.59 3.53 2.5223 0 2 3 35.83 1.30 2.5059 3 0 3 36.27 2.67 2.4768 1 0 6 36.64 11.11 2.4528 3 1 2 36.65 5.11 2.4518 -1 2 3 38.15 1.94 2.3588 -1 1 6 39.33 8.02 2.2907 3 0 4 39.45 3.35 2.2840 2 1 5 39.49 13.87 2.2819 2 2 2 39.61 3.92 2.2753 -1 2 4 39.63 1.25 2.2743 1 1 6 39.86 4.35 2.2616 0 0 7 40.45 1.18 2.2298 4 0 0 40.57 3.24 2.2237 1 2 4 41.17 16.72 2.1926 -4 0 2 41.34 2.05 2.1840 4 0 1 41.81 24.50 2.1603 2 2 3 42.50 9.79 2.1270 0 2 5 42.98 4.85 2.1043 0 1 7 43.01 1.96 2.1028 4 0 2 43.02 6.74 2.1026 -3 1 5 43.03 19.21 2.1020 -2 2 4 43.19 1.66 2.0946 -1 2 5 43.39 1.23 2.0857 3 0 5 43.39 5.05 2.0855 -2 0 7 43.83 2.73 2.0654 3 2 0 44.55 1.30 2.0336 3 2 1 45.41 4.23 1.9975 4 0 3 45.86 2.35 1.9789 0 0 8 45.96 1.89 1.9746 4 1 2 46.29 19.59 1.9613 -2 2 5 46.45 5.08 1.9549 2 0 7 46.92 10.67 1.9364 -3 1 6 47.29 3.98 1.9220 -1 2 6 47.88 1.99 1.9000 1 0 8 47.89 3.61 1.8995 -4 1 4 48.24 4.01 1.8866 4 1 3 48.39 6.75 1.8810 2 2 5 48.90 4.18 1.8624 -1 3 1 48.98 14.27 1.8596 -1 1 8 50.62 4.47 1.8034 3 1 6 51.00 3.06 1.7907 3 2 4 51.06 3.90 1.7886 -5 0 1 51.14 2.14 1.7862 4 1 4 51.43 4.33 1.7767 0 2 7 51.87 1.84 1.7627 -4 2 1 51.92 1.43 1.7612 4 2 0 51.98 6.45 1.7591 2 3 0 52.02 1.28 1.7581 4 0 5 52.04 5.24 1.7574 2 0 8 52.12 2.25 1.7548 1 3 3 52.51 6.52 1.7426 -4 2 2 52.52 1.31 1.7423 2 3 1 52.84 1.23 1.7325 -5 0 3 52.96 1.85 1.7288 -2 3 2 53.82 1.21 1.7032 -4 2 3 53.93 7.84 1.7001 1 0 9 54.53 2.95 1.6829 -2 0 9 54.59 12.66 1.6812 1 3 4 54.59 2.56 1.6811 4 1 5 54.61 2.33 1.6805 2 1 8 54.76 7.80 1.6763 -1 1 9 54.91 3.84 1.6721 -3 2 6 55.33 2.48 1.6603 3 1 7 55.39 6.79 1.6587 -5 1 3 55.77 1.46 1.6482 -4 2 4 56.08 4.47 1.6399 5 1 2 56.09 14.99 1.6398 4 2 3 56.09 3.37 1.6396 4 0 6 56.15 5.26 1.6382 0 3 5 56.47 1.42 1.6294 0 2 8 56.58 1.61 1.6267 -2 3 4 56.76 1.75 1.6219 -1 2 8 56.99 2.92 1.6160 2 2 7 57.02 2.67 1.6150 -2 1 9 57.21 2.16 1.6103 -5 0 5 57.24 1.48 1.6095 3 3 0 57.28 11.10 1.6083 -3 3 1 57.98 3.98 1.5907 -4 1 7 58.22 1.88 1.5845 1 2 8 59.06 1.32 1.5641 3 3 2 59.63 2.50 1.5505 -5 1 5 60.61 1.33 1.5279 4 0 7 61.90 5.88 1.4990 2 2 8 62.57 1.11 1.4846 3 2 7 62.61 1.68 1.4838 -5 1 6 62.81 3.24 1.4794 -2 1 10 62.95 1.83 1.4765 4 1 7 63.26 3.45 1.4699 5 2 2 63.30 2.85 1.4691 6 0 1 63.60 2.16 1.4629 1 2 9 63.69 1.31 1.4612 0 3 7 63.72 1.09 1.4606 -3 3 5 64.57 1.36 1.4433 -6 1 1 64.83 2.94 1.4381 -4 0 9 64.95 12.14 1.4358 0 4 0 64.96 2.23 1.4356 -6 1 2 65.03 5.92 1.4342 -4 2 7 66.75 2.01 1.4013 -3 3 6 67.09 1.48 1.3951 -4 1 9 67.77 4.04 1.3827 4 1 8 68.41 5.12 1.3714 -1 3 8 68.88 1.08 1.3632 1 1 11 68.95 1.30 1.3619 6 1 3 69.75 1.66 1.3483 3 3 6 70.09 1.29 1.3426 -4 0 10 71.52 1.58 1.3193 0 0 12 71.63 3.39 1.3174 -6 2 2 71.89 1.18 1.3133 5 1 7 72.23 3.49 1.3079 6 2 1 72.63 2.16 1.3017 -2 4 4 73.08 1.09 1.2949 4 3 5 73.21 1.06 1.2929 3 4 0 73.22 2.97 1.2927 -1 3 9 73.67 3.54 1.2859 -4 2 9 73.73 1.06 1.2850 3 4 1 73.76 3.12 1.2845 -5 3 3 74.07 1.35 1.2799 -6 2 4 74.27 1.97 1.2770 5 2 6 74.35 1.41 1.2758 5 3 2 75.02 4.40 1.2661 -2 4 5 75.17 1.06 1.2640 -2 3 9 75.46 1.69 1.2598 6 2 3 76.00 1.56 1.2522 -4 3 7 77.44 1.28 1.2324 -7 1 3 77.45 1.05 1.2323 -5 3 5 77.81 1.38 1.2275 3 1 11 78.06 1.60 1.2242 6 1 6 78.65 2.15 1.2165 3 4 4 78.71 1.62 1.2157 -6 2 6 79.11 2.34 1.2106 2 1 12 79.42 1.48 1.2066 -5 1 10 79.86 2.41 1.2011 -4 4 2 80.04 4.61 1.1988 0 2 12 80.30 1.41 1.1957 -2 3 10 81.37 1.14 1.1826 -2 4 7 81.83 1.37 1.1771 -6 2 7 82.24 1.17 1.1722 -6 3 2 82.79 1.02 1.1658 4 4 3 83.55 1.28 1.1572 2 4 7 84.84 1.91 1.1429 4 3 8 84.92 1.15 1.1420 4 2 10 85.07 1.30 1.1403 7 2 2 85.38 2.60 1.1370 -3 1 13 86.12 1.79 1.1291 2 1 13 86.21 1.55 1.1282 7 1 5 86.25 1.80 1.1278 -7 1 7 86.74 1.21 1.1227 -1 2 13 87.03 1.12 1.1197 -5 4 1 87.75 1.01 1.1123 2 5 0 87.79 1.66 1.1119 2 4 8 89.30 2.68 1.0969 1 4 9 89.37 1.60 1.0963 -8 0 4 89.78 1.77 1.0923 -7 1 8 89.84 3.33 1.0918 1 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.