Vuonnemite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050250 Ercit T S, Cooper M A, Hawthorne F C The Canadian Mineralogist 36 (1998) 1311-1320 The crystal structure of vuonnemite, Na11TiNb2(Si2O7)2(PO4)2O3(F,OH), a phosphate-bearing sorosilicate of the lomonosovite group Locality: Ilimaussaq, Greenland CELL PARAMETERS: 5.4890 7.1680 14.4310 92.600 95.370 90.620 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Si 0.18415 0.21928 0.69712 1.000 0.484 Si 0.19844 0.79366 0.68464 1.000 0.480 P 0.31392 0.25633 0.06638 1.000 0.611 Nb 0.30112 0.49172 0.28387 1.000 0.445 Ti 0.97235 0.00088 0.50786 1.000 0.458 Na 0.18320 0.98210 0.89970 1.000 1.589 Na 0.19530 0.50790 0.86600 1.000 1.457 Na 0.49450 0.24060 0.50100 1.000 1.232 Na 0.70530 0.99260 0.73580 1.000 1.407 Na 0.24930 0.73690 0.08030 1.000 1.625 Na 0.00000 0.50000 0.50000 1.000 1.499 O 0.43490 0.32350 0.74270 1.000 0.958 O 0.20360 0.00570 0.73500 1.000 0.886 O 0.16140 0.80170 0.57380 1.000 0.794 O 0.46020 0.70990 0.71900 1.000 0.986 O 0.05180 0.69640 0.25500 1.000 0.819 O 0.32310 0.51560 0.40570 1.000 1.081 O 0.25630 0.43040 0.13020 1.000 0.826 O 0.23690 0.07340 0.10810 1.000 1.200 O 0.16020 0.20940 0.58550 1.000 0.779 O 0.41180 0.74220 0.94340 1.000 1.224 O 0.17100 0.27450 0.97100 1.000 1.374 O 0.01730 0.31630 0.27220 1.000 1.043 O 0.26870 0.00240 0.42300 1.000 1.434 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 6 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 9.206017658 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.16 100.00 14.3521 0 0 1 12.33 18.30 7.1760 0 0 2 12.36 3.62 7.1598 0 1 0 13.56 1.93 6.5295 0 -1 1 14.08 19.38 6.2908 0 1 1 16.22 5.61 5.4643 1 0 0 17.08 68.27 5.1908 0 -1 2 17.90 32.21 4.9544 0 1 2 17.91 34.20 4.9539 1 0 1 18.55 6.11 4.7840 0 0 3 19.47 10.83 4.5593 -1 0 2 20.29 29.98 4.3759 -1 1 0 20.60 6.82 4.3124 1 1 0 20.89 79.12 4.2517 -1 -1 1 20.94 24.27 4.2416 -1 1 1 21.35 1.28 4.1625 1 0 2 21.51 6.16 4.1319 1 -1 1 21.86 3.04 4.0662 0 -1 3 22.12 3.54 4.0182 1 1 1 22.83 18.70 3.8948 0 1 3 22.95 3.16 3.8756 -1 -1 2 23.31 14.14 3.8165 -1 1 2 23.53 8.85 3.7802 -1 0 3 24.32 3.62 3.6604 1 -1 2 24.81 31.55 3.5880 0 0 4 24.87 4.21 3.5799 0 2 0 25.36 6.61 3.5121 0 -2 1 25.88 1.62 3.4423 1 0 3 25.93 7.25 3.4361 0 2 1 26.96 8.09 3.3071 -1 1 3 27.28 1.54 3.2693 0 -1 4 27.32 3.41 3.2647 0 -2 2 28.28 6.67 3.1559 1 -1 3 28.34 1.74 3.1495 0 1 4 28.37 4.34 3.1454 0 2 2 28.44 2.23 3.1379 -1 0 4 29.27 3.10 3.0515 1 1 3 30.05 3.14 2.9739 1 2 0 30.14 12.10 2.9655 -1 -2 1 30.21 12.84 2.9587 -1 2 1 30.37 22.45 2.9435 1 -2 1 30.48 5.71 2.9325 0 -2 3 30.74 8.75 2.9085 -1 -1 4 31.08 1.07 2.8775 1 0 4 31.16 75.34 2.8704 0 0 5 31.26 19.48 2.8614 1 2 1 31.51 1.63 2.8391 -1 -2 2 31.91 10.23 2.8043 0 2 3 32.05 1.31 2.7927 -1 2 2 32.35 72.03 2.7675 1 -2 2 32.78 20.96 2.7321 2 0 0 32.79 40.38 2.7316 -2 0 1 33.02 7.87 2.7128 1 -1 4 33.64 54.47 2.6639 1 2 2 33.88 2.73 2.6458 -1 0 5 33.99 14.51 2.6373 -2 0 2 34.03 25.51 2.6342 -1 -2 3 34.10 14.22 2.6290 1 1 4 34.97 33.60 2.5658 -1 2 3 35.34 1.41 2.5398 2 1 0 35.76 9.66 2.5110 -1 -1 5 36.00 1.37 2.4947 2 -1 1 36.27 2.10 2.4769 2 0 2 36.30 12.94 2.4750 -2 0 3 36.57 1.38 2.4575 2 1 1 36.63 2.26 2.4535 -1 1 5 36.71 5.29 2.4480 1 0 5 37.50 4.41 2.3981 -1 -2 4 37.60 7.21 2.3920 0 0 6 37.93 2.47 2.3722 0 -3 1 38.30 1.09 2.3500 1 -1 5 38.36 1.27 2.3467 -2 -1 3 38.76 2.18 2.3231 -1 2 4 39.22 4.01 2.2969 0 -3 2 39.31 1.82 2.2922 0 -2 5 39.49 4.15 2.2818 2 0 3 39.53 1.51 2.2796 -2 0 4 41.04 2.04 2.1993 -1 3 0 41.22 3.26 2.1902 0 2 5 41.24 1.59 2.1890 -1 -1 6 41.26 3.07 2.1879 -2 2 0 41.36 1.17 2.1829 -2 -1 4 41.45 2.66 2.1782 -2 2 1 41.49 1.90 2.1765 0 -3 3 41.57 2.57 2.1723 -1 3 1 41.72 2.87 2.1651 -2 -2 1 41.90 3.70 2.1562 2 2 0 42.07 1.60 2.1480 2 -2 1 42.20 3.68 2.1416 -1 1 6 42.45 1.57 2.1293 -1 -3 2 42.53 9.54 2.1258 -2 -2 2 42.63 4.73 2.1208 -2 2 2 42.67 2.81 2.1192 1 0 6 43.06 1.50 2.1009 2 2 1 43.14 1.91 2.0969 0 3 3 43.48 10.93 2.0813 2 0 4 43.82 5.42 2.0660 1 -2 5 43.82 7.74 2.0659 2 -2 2 43.99 2.56 2.0586 1 -1 6 44.17 4.50 2.0503 0 0 7 44.35 2.41 2.0425 -1 -3 3 44.61 1.44 2.0313 0 -3 4 44.73 1.17 2.0260 -2 2 3 45.13 10.53 2.0091 2 2 2 45.14 1.50 2.0087 -2 -1 5 45.29 2.36 2.0021 1 -3 3 45.44 3.14 1.9958 0 -1 7 45.71 1.47 1.9849 -2 1 5 45.78 2.29 1.9820 -1 0 7 45.87 5.30 1.9783 1 2 5 46.44 3.48 1.9553 2 -2 3 46.65 6.50 1.9472 0 1 7 46.68 1.15 1.9458 0 3 4 46.88 1.77 1.9378 -2 -2 4 47.27 2.67 1.9229 1 3 3 48.03 1.31 1.8944 2 2 3 48.09 1.74 1.8920 2 0 5 48.14 11.84 1.8901 -2 0 6 48.44 4.55 1.8793 1 -3 4 48.90 7.16 1.8625 1 -2 6 49.87 2.60 1.8286 -3 0 1 50.24 1.93 1.8160 0 -2 7 50.39 2.78 1.8111 -2 3 0 50.39 1.40 1.8109 2 1 5 50.63 1.02 1.8029 -2 3 1 50.80 2.39 1.7974 1 3 4 51.00 9.03 1.7908 2 -3 1 51.02 29.47 1.7899 0 4 0 51.11 8.34 1.7870 1 2 6 51.13 1.06 1.7864 0 -4 1 51.20 4.76 1.7841 2 3 0 51.58 7.09 1.7718 -2 -3 2 51.59 1.66 1.7716 -3 1 0 51.71 1.39 1.7678 -3 -1 1 51.72 1.94 1.7674 -2 3 2 51.84 1.29 1.7638 -1 -2 7 52.14 1.64 1.7542 -1 0 8 52.27 1.42 1.7502 -3 -1 2 52.28 2.24 1.7499 2 3 1 52.45 2.63 1.7445 0 2 7 52.55 4.96 1.7416 -1 3 5 52.92 1.90 1.7303 0 -3 6 53.26 1.62 1.7200 -1 -1 8 53.28 5.03 1.7195 -2 0 7 53.65 2.28 1.7084 -3 -1 3 53.71 4.27 1.7065 -3 1 3 53.74 2.77 1.7056 -1 2 7 53.94 1.49 1.6997 1 -4 1 54.28 2.83 1.6901 2 -1 6 54.28 5.87 1.6899 -2 -2 6 54.32 2.67 1.6888 3 -1 2 54.43 5.31 1.6856 1 -2 7 55.01 1.28 1.6692 3 1 2 55.06 1.77 1.6679 1 -4 2 55.07 1.33 1.6676 1 4 1 55.44 1.08 1.6574 2 1 6 55.58 4.04 1.6536 -2 2 6 55.81 1.33 1.6474 -3 -1 4 56.28 1.99 1.6347 -2 3 4 56.28 2.25 1.6347 0 -2 8 56.28 7.38 1.6346 -3 2 1 56.28 2.12 1.6345 -1 -4 3 56.32 4.83 1.6334 -3 2 0 56.36 2.18 1.6324 0 -4 4 56.74 8.64 1.6224 -3 -2 1 56.78 1.60 1.6213 2 3 3 56.79 4.29 1.6212 1 2 7 57.08 4.08 1.6135 3 2 0 57.16 2.55 1.6115 3 -2 1 57.30 1.95 1.6080 -3 0 5 57.55 1.02 1.6015 -1 4 3 57.56 7.54 1.6012 -1 -2 8 57.64 1.26 1.5993 1 1 8 57.82 5.53 1.5947 0 0 9 57.91 4.60 1.5923 0 -3 7 58.20 1.11 1.5852 -2 -3 5 58.20 1.26 1.5852 3 2 1 58.42 1.76 1.5797 -3 -2 3 58.55 2.33 1.5766 -3 2 3 58.62 5.00 1.5748 0 2 8 58.69 1.78 1.5732 -3 -1 5 58.71 1.98 1.5727 0 4 4 58.76 1.68 1.5713 3 -2 2 58.80 3.78 1.5704 2 0 7 58.89 1.22 1.5681 -2 -2 7 58.99 3.24 1.5657 3 0 4 59.58 6.11 1.5516 0 -4 5 59.63 8.13 1.5505 -1 2 8 59.95 1.32 1.5429 -2 -1 8 60.02 1.18 1.5414 0 1 9 60.07 1.04 1.5402 3 2 2 60.40 1.60 1.5327 -3 -2 4 60.80 2.53 1.5234 -3 2 4 61.00 1.01 1.5190 3 1 4 61.25 1.62 1.5133 2 -3 5 61.50 1.76 1.5077 -2 4 0 61.79 5.30 1.5015 -2 4 1 62.18 3.25 1.4929 -2 -4 1 62.41 5.05 1.4880 0 4 5 62.46 1.85 1.4870 2 4 0 62.65 2.17 1.4828 -2 -4 2 62.82 3.09 1.4793 -2 4 2 62.97 2.19 1.4762 1 -1 9 63.18 1.28 1.4718 2 -4 2 63.39 1.22 1.4672 0 -3 8 63.59 1.08 1.4631 -2 3 6 63.64 6.80 1.4622 2 -2 7 63.69 1.28 1.4612 -1 -2 9 63.81 1.27 1.4586 -1 4 5 63.86 1.93 1.4576 -2 -4 3 64.03 2.11 1.4542 -2 -2 8 64.05 1.73 1.4538 2 3 5 64.12 2.02 1.4524 3 -2 4 64.80 4.09 1.4387 2 0 8 64.98 1.62 1.4352 0 0 10 65.10 2.18 1.4328 2 -4 3 65.21 1.49 1.4307 2 4 2 65.48 2.17 1.4254 2 -3 6 65.69 1.26 1.4214 -1 0 10 65.74 1.95 1.4204 -2 2 8 65.85 1.41 1.4184 0 5 1 65.91 2.84 1.4173 3 2 4 65.91 2.52 1.4172 -3 -3 3 65.91 1.04 1.4172 -1 2 9 65.92 1.79 1.4170 0 -5 2 66.01 5.85 1.4152 2 2 7 66.02 2.39 1.4151 -2 -3 7 66.08 1.68 1.4139 1 4 5 66.42 1.72 1.4075 -3 -2 6 66.52 1.95 1.4056 -1 -1 10 67.17 1.78 1.3936 1 -3 8 67.34 1.89 1.3905 -3 2 6 67.35 1.42 1.3904 -1 5 0 67.64 1.78 1.3851 2 4 3 67.72 1.42 1.3837 2 -4 4 67.75 1.25 1.3831 -1 1 10 67.77 3.72 1.3828 -1 -5 1 67.78 1.11 1.3826 3 -2 5 67.86 1.59 1.3811 -1 5 1 68.36 3.64 1.3722 -4 0 1 68.37 1.81 1.3721 3 -1 6 68.71 1.66 1.3661 4 0 0 69.23 2.85 1.3571 1 0 10 69.77 6.77 1.3480 4 0 1 71.12 1.05 1.3256 -3 -1 8 71.55 1.46 1.3188 -1 -5 4 71.55 3.58 1.3186 -4 0 4 71.65 1.89 1.3171 -2 -4 6 72.37 1.25 1.3058 1 -5 4 73.87 4.57 1.2829 -2 4 6 74.13 1.06 1.2791 -1 -4 8 75.49 1.44 1.2594 1 5 4 76.14 1.06 1.2503 -2 -3 9 76.55 1.08 1.2445 -1 -3 10 78.22 1.05 1.2221 -2 4 7 78.44 2.67 1.2192 0 -4 9 80.01 1.33 1.1992 -1 3 10 80.34 1.09 1.1951 -4 3 1 80.60 1.27 1.1919 1 -2 11 80.69 3.22 1.1908 4 0 5 81.40 1.43 1.1822 -4 -3 2 82.23 1.45 1.1723 -3 -1 10 82.36 1.16 1.1708 0 1 12 82.38 1.06 1.1706 -2 -2 11 82.95 1.13 1.1641 0 4 9 83.39 2.50 1.1590 1 -6 2 83.55 1.47 1.1571 1 2 11 83.71 2.03 1.1553 2 4 7 84.42 1.57 1.1474 3 0 9 84.46 1.53 1.1471 2 -4 8 84.49 1.62 1.1466 -1 -6 3 85.02 1.37 1.1409 4 0 6 85.12 2.03 1.1398 -4 0 8 85.51 1.81 1.1356 1 6 2 85.65 1.02 1.1341 -3 5 0 86.09 2.09 1.1294 -1 6 3 86.73 1.29 1.1227 -4 1 8 88.08 1.04 1.1089 -3 5 3 89.26 1.01 1.0974 2 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.