Vuonnemite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080015 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: Lovozero, Kola Peninsula, Russia _database_code_amcsd 0005582 CELL PARAMETERS: 5.4760 7.1410 14.4000 92.570 95.310 90.590 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Si 0.18446 0.21937 0.69737 1.000 0.622 Si 0.19918 0.79300 0.68471 1.000 0.602 P 0.31393 0.25693 0.06612 1.000 0.757 Nb 0.30111 0.49199 0.28413 1.000 0.618 Ti 0.97299 0.00048 0.50810 1.000 0.599 Na 0.18370 0.98220 0.89983 1.000 1.688 Na 0.19360 0.50820 0.86520 1.000 1.807 Na 0.49450 0.24180 0.50112 1.000 1.603 Na 0.70600 0.99180 0.73624 1.000 1.597 Na 0.25070 0.73680 0.08094 1.000 1.809 Na 0.00000 0.50000 0.50000 1.000 1.598 O 0.43550 0.32400 0.74295 1.000 1.104 O 0.20340 0.00480 0.73487 1.000 0.966 O 0.16240 0.80120 0.57348 1.000 0.946 O 0.46150 0.70950 0.71855 1.000 1.152 O 0.05260 0.69620 0.25513 1.000 0.964 O 0.32420 0.51660 0.40636 1.000 1.266 O 0.25520 0.43070 0.13009 1.000 0.990 O 0.23700 0.07300 0.10740 1.000 1.361 O 0.16100 0.20930 0.58525 1.000 0.908 O 0.41130 0.74150 0.94321 1.000 1.420 O 0.17290 0.27520 0.97009 1.000 1.574 O 0.01760 0.31740 0.27290 1.000 1.257 O 0.26990 0.00260 0.42335 1.000 1.255 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 6 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 9.427655567 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.17 100.00 14.3230 0 0 1 12.36 17.91 7.1615 0 0 2 12.41 3.84 7.1331 0 1 0 13.61 1.87 6.5056 0 -1 1 14.12 18.57 6.2710 0 1 1 16.26 5.34 5.4519 1 0 0 17.14 66.55 5.1743 0 -1 2 17.94 33.57 4.9445 1 0 1 17.95 32.11 4.9415 0 1 2 18.58 5.94 4.7743 0 0 3 19.52 10.39 4.5468 -1 0 2 20.36 29.16 4.3623 -1 1 0 20.65 6.74 4.3016 1 1 0 20.95 77.85 4.2397 -1 -1 1 21.01 23.86 4.2280 -1 1 1 21.38 1.23 4.1555 1 0 2 21.57 6.05 4.1201 1 -1 1 21.92 3.06 4.0548 0 -1 3 22.17 3.37 4.0095 1 1 1 22.89 18.39 3.8859 0 1 3 23.02 3.12 3.8641 -1 -1 2 23.38 13.98 3.8047 -1 1 2 23.60 8.80 3.7700 -1 0 3 24.38 3.39 3.6511 1 -1 2 24.87 30.86 3.5808 0 0 4 24.97 4.19 3.5665 0 2 0 25.46 6.38 3.4988 0 -2 1 25.93 1.67 3.4367 1 0 3 26.02 7.15 3.4241 0 2 1 27.04 7.84 3.2975 -1 1 3 27.35 1.56 3.2609 0 -1 4 27.42 3.32 3.2528 0 -2 2 28.35 6.28 3.1486 1 -1 3 28.40 1.74 3.1427 0 1 4 28.47 4.16 3.1355 0 2 2 28.52 2.21 3.1296 -1 0 4 29.32 3.05 3.0462 1 1 3 30.14 3.09 2.9650 1 2 0 30.23 11.94 2.9560 -1 -2 1 30.32 12.59 2.9481 -1 2 1 30.47 21.98 2.9333 1 -2 1 30.59 5.62 2.9225 0 -2 3 30.83 8.67 2.9001 -1 -1 4 31.13 1.05 2.8727 1 0 4 31.22 73.96 2.8646 0 0 5 31.35 18.62 2.8535 1 2 1 31.62 1.55 2.8298 -1 -2 2 32.01 9.82 2.7963 0 2 3 32.16 1.32 2.7832 -1 2 2 32.46 69.63 2.7584 1 -2 2 32.86 20.60 2.7260 2 0 0 32.87 39.32 2.7249 -2 0 1 33.09 7.99 2.7069 1 -1 4 33.73 52.86 2.6573 1 2 2 33.97 2.56 2.6391 -1 0 5 34.09 13.97 2.6304 -2 0 2 34.15 24.38 2.6255 -1 -2 3 34.16 14.08 2.6245 1 1 4 35.09 32.19 2.5575 -1 2 3 35.42 1.30 2.5341 2 1 0 35.86 9.34 2.5041 -1 -1 5 36.09 1.34 2.4885 2 -1 1 36.34 2.04 2.4723 2 0 2 36.40 12.68 2.4683 -2 0 3 36.64 1.36 2.4524 2 1 1 36.73 2.16 2.4471 -1 1 5 36.78 5.19 2.4439 1 0 5 37.63 4.33 2.3904 -1 -2 4 37.68 6.99 2.3872 0 0 6 38.08 2.41 2.3632 0 -3 1 38.38 1.09 2.3451 1 -1 5 38.47 1.17 2.3403 -2 -1 3 38.88 2.15 2.3161 -1 2 4 39.38 4.02 2.2883 0 -3 2 39.43 1.66 2.2853 0 -2 5 39.57 4.00 2.2777 2 0 3 39.64 1.44 2.2734 -2 0 4 41.20 1.92 2.1911 -1 3 0 41.32 3.17 2.1849 0 2 5 41.36 1.64 2.1831 -1 -1 6 41.40 2.86 2.1811 -2 2 0 41.48 1.20 2.1768 -2 -1 4 41.59 2.53 2.1713 -2 2 1 41.65 1.86 2.1685 0 -3 3 41.73 2.52 2.1643 -1 3 1 41.84 2.81 2.1593 -2 -2 1 42.01 3.44 2.1508 2 2 0 42.20 1.49 2.1415 2 -2 1 42.31 3.62 2.1363 -1 1 6 42.61 1.45 2.1219 -1 -3 2 42.65 9.31 2.1198 -2 -2 2 42.74 2.81 2.1156 1 0 6 42.77 4.61 2.1140 -2 2 2 43.16 1.47 2.0960 2 2 1 43.28 1.84 2.0903 0 3 3 43.56 10.43 2.0777 2 0 4 43.94 5.24 2.0604 1 -2 5 43.95 7.44 2.0601 2 -2 2 44.08 2.60 2.0544 1 -1 6 44.27 4.39 2.0461 0 0 7 44.51 2.33 2.0354 -1 -3 3 44.77 1.38 2.0241 0 -3 4 44.88 1.07 2.0196 -2 2 3 45.23 10.02 2.0048 2 2 2 45.27 1.44 2.0031 -2 -1 5 45.46 2.22 1.9952 1 -3 3 45.55 2.96 1.9912 0 -1 7 45.85 1.43 1.9793 -2 1 5 45.90 2.22 1.9772 -1 0 7 45.97 5.14 1.9743 1 2 5 46.57 3.35 1.9500 2 -2 3 46.75 6.44 1.9433 0 1 7 46.83 1.11 1.9401 0 3 4 47.03 1.67 1.9321 -2 -2 4 47.40 2.47 1.9178 1 3 3 48.13 1.27 1.8906 2 2 3 48.18 1.71 1.8889 2 0 5 48.28 11.43 1.8850 -2 0 6 48.61 4.37 1.8731 1 -3 4 49.04 6.94 1.8578 1 -2 6 50.00 2.48 1.8242 -3 0 1 50.38 1.80 1.8111 0 -2 7 50.48 1.26 1.8080 2 1 5 50.57 2.67 1.8049 -2 3 0 50.93 2.35 1.7929 1 3 4 51.18 8.74 1.7848 2 -3 1 51.22 8.07 1.7836 1 2 6 51.23 28.08 1.7833 0 4 0 51.36 4.48 1.7791 2 3 0 51.73 1.56 1.7672 -3 1 0 51.75 6.81 1.7664 -2 -3 2 51.84 1.33 1.7636 -3 -1 1 51.91 1.81 1.7613 -2 3 2 52.00 1.21 1.7587 -1 -2 7 52.28 1.54 1.7500 -1 0 8 52.41 1.41 1.7459 -3 -1 2 52.43 2.19 1.7453 2 3 1 52.58 2.54 1.7406 0 2 7 52.72 4.68 1.7362 -1 3 5 53.10 1.88 1.7248 0 -3 6 53.40 1.52 1.7157 -1 -1 8 53.43 4.85 1.7149 -2 0 7 53.80 2.19 1.7040 -3 -1 3 53.88 4.09 1.7017 -3 1 3 53.89 2.57 1.7012 -1 2 7 54.17 1.44 1.6933 1 -4 1 54.39 2.72 1.6869 2 -1 6 54.45 2.47 1.6850 3 -1 2 54.46 5.57 1.6849 -2 -2 6 54.58 5.06 1.6814 1 -2 7 55.13 1.23 1.6660 3 1 2 55.27 1.25 1.6622 1 4 1 55.28 1.64 1.6616 1 -4 2 55.54 1.13 1.6547 2 1 6 55.75 3.83 1.6487 -2 2 6 55.97 1.30 1.6430 -3 -1 4 56.44 2.10 1.6304 0 -2 8 56.46 7.24 1.6299 -3 2 1 56.48 1.94 1.6293 -2 3 4 56.50 4.60 1.6288 -3 2 0 56.50 2.02 1.6286 -1 -4 3 56.59 2.07 1.6264 0 -4 4 56.90 8.41 1.6184 -3 -2 1 56.90 4.18 1.6182 1 2 7 56.93 1.53 1.6175 2 3 3 57.23 3.87 1.6098 3 2 0 57.33 2.39 1.6072 3 -2 1 57.47 1.82 1.6036 -3 0 5 57.74 7.09 1.5967 -1 -2 8 57.74 1.22 1.5966 1 1 8 57.95 5.22 1.5914 0 0 9 58.11 4.48 1.5874 0 -3 7 58.34 1.22 1.5817 3 2 1 58.40 1.10 1.5802 -2 -3 5 58.59 1.65 1.5754 -3 -2 3 58.74 2.18 1.5719 -3 2 3 58.76 4.71 1.5714 0 2 8 58.86 1.70 1.5689 -3 -1 5 58.91 3.54 1.5679 2 0 7 58.91 1.81 1.5678 0 4 4 58.93 1.60 1.5672 3 -2 2 59.08 1.17 1.5636 -2 -2 7 59.11 3.04 1.5629 3 0 4 59.80 7.71 1.5466 -1 2 8 59.82 5.69 1.5461 0 -4 5 60.13 1.25 1.5388 -2 -1 8 60.15 1.16 1.5383 0 1 9 60.58 1.48 1.5284 -3 -2 4 61.01 2.36 1.5188 -3 2 4 61.45 1.53 1.5090 2 -3 5 61.75 1.74 1.5023 -2 4 0 62.03 4.93 1.4961 -2 4 1 62.40 3.12 1.4882 -2 -4 1 62.61 4.86 1.4836 0 4 5 62.67 1.75 1.4825 2 4 0 62.88 2.05 1.4780 -2 -4 2 63.07 2.96 1.4741 -2 4 2 63.11 2.14 1.4732 1 -1 9 63.42 1.23 1.4666 2 -4 2 63.60 1.16 1.4629 0 -3 8 63.80 6.37 1.4589 2 -2 7 63.88 1.24 1.4572 -1 -2 9 64.04 1.17 1.4539 -1 4 5 64.10 1.81 1.4528 -2 -4 3 64.20 1.66 1.4507 2 3 5 64.23 1.93 1.4501 -2 -2 8 64.29 1.92 1.4489 3 -2 4 64.92 3.96 1.4364 2 0 8 65.13 1.53 1.4323 0 0 10 65.35 2.05 1.4279 2 -4 3 65.41 1.39 1.4268 2 4 2 65.68 2.14 1.4215 2 -3 6 65.86 1.13 1.4181 -1 0 10 65.95 1.75 1.4165 -2 2 8 66.04 2.72 1.4146 3 2 4 66.09 1.02 1.4137 -1 2 9 66.12 2.39 1.4132 -3 -3 3 66.12 1.33 1.4132 0 5 1 66.14 5.45 1.4128 2 2 7 66.20 1.65 1.4116 0 -5 2 66.25 2.28 1.4107 -2 -3 7 66.28 1.55 1.4102 1 4 5 66.63 1.60 1.4035 -3 -2 6 66.71 1.85 1.4021 -1 -1 10 67.38 1.66 1.3898 1 -3 8 67.57 1.81 1.3864 -3 2 6 67.64 1.34 1.3851 -1 5 0 67.84 1.69 1.3815 2 4 3 67.93 1.14 1.3799 -1 1 10 67.96 1.04 1.3794 3 -2 5 67.97 1.30 1.3792 2 -4 4 68.04 3.53 1.3779 -1 -5 1 68.15 1.51 1.3759 -1 5 1 68.52 1.75 1.3695 3 -1 6 68.55 3.41 1.3689 -4 0 1 68.89 1.59 1.3630 4 0 0 69.37 2.59 1.3546 1 0 10 69.94 6.41 1.3451 4 0 1 71.35 1.00 1.3220 -3 -1 8 71.77 3.38 1.3152 -4 0 4 71.85 1.38 1.3140 -1 -5 4 71.92 1.75 1.3128 -2 -4 6 72.68 1.22 1.3010 1 -5 4 74.15 4.29 1.2788 -2 4 6 75.75 1.40 1.2556 1 5 4 78.51 1.04 1.2183 -2 4 7 78.73 2.46 1.2155 0 -4 9 80.26 1.25 1.1962 -1 3 10 80.81 1.15 1.1893 1 -2 11 80.87 3.04 1.1886 4 0 5 81.65 1.36 1.1792 -4 -3 2 82.51 1.36 1.1691 -3 -1 10 82.56 1.11 1.1685 0 1 12 83.20 1.01 1.1611 0 4 9 83.74 1.35 1.1550 1 2 11 83.78 2.29 1.1546 1 -6 2 83.94 1.87 1.1528 2 4 7 84.59 1.44 1.1456 3 0 9 84.75 1.43 1.1438 2 -4 8 84.88 1.46 1.1424 -1 -6 3 85.21 1.26 1.1389 4 0 6 85.41 1.84 1.1367 -4 0 8 85.87 1.69 1.1317 1 6 2 86.48 1.90 1.1254 -1 6 3 87.04 1.18 1.1196 -4 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.