Vuonnemite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070690 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 _database_code_amcsd 0005581 CELL PARAMETERS: 5.4960 7.1640 14.4630 92.720 95.210 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 0.612 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 1.588 Na 0.19530 0.50790 0.86600 1.000 1.456 Na 0.49450 0.24060 0.50100 1.000 1.233 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 1.500 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 1.201 O 0.16020 0.20940 0.58550 1.000 0.779 O 0.41180 0.74220 0.94340 1.000 1.225 O 0.17100 0.27450 0.97100 1.000 1.373 O 0.01730 0.31630 0.27220 1.000 1.042 O 0.26870 0.00240 0.42300 1.000 1.434 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: 9.194330507 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.14 100.00 14.3862 0 0 1 12.30 18.30 7.1931 0 0 2 12.37 3.60 7.1551 0 1 0 13.55 1.93 6.5345 0 -1 1 14.09 19.25 6.2857 0 1 1 16.20 5.60 5.4727 1 0 0 17.05 68.25 5.2009 0 -1 2 17.86 34.24 4.9664 1 0 1 17.91 32.04 4.9538 0 1 2 18.50 6.12 4.7954 0 0 3 19.46 10.79 4.5610 -1 0 2 20.28 29.89 4.3792 -1 1 0 20.58 6.80 4.3154 1 1 0 20.88 78.83 4.2539 -1 -1 1 20.95 24.14 4.2410 -1 1 1 21.28 1.28 4.1753 1 0 2 21.47 6.16 4.1396 1 -1 1 21.80 3.04 4.0762 0 -1 3 22.10 3.53 4.0226 1 1 1 22.82 18.64 3.8968 0 1 3 22.93 3.15 3.8781 -1 -1 2 23.32 14.05 3.8148 -1 1 2 23.52 8.82 3.7821 -1 0 3 24.25 3.63 3.6704 1 -1 2 24.75 31.60 3.5965 0 0 4 24.89 4.18 3.5776 0 2 0 25.36 6.58 3.5120 0 -2 1 25.80 1.63 3.4536 1 0 3 25.95 7.19 3.4329 0 2 1 26.97 8.04 3.3059 -1 1 3 27.20 1.54 3.2781 0 -1 4 27.30 3.40 3.2672 0 -2 2 28.19 6.70 3.1660 1 -1 3 28.31 1.73 3.1525 0 1 4 28.40 4.31 3.1429 0 2 2 28.42 2.22 3.1403 -1 0 4 29.21 3.10 3.0573 1 1 3 30.05 3.13 2.9738 1 2 0 30.13 12.05 2.9657 -1 -2 1 30.22 12.75 2.9570 -1 2 1 30.34 22.39 2.9459 1 -2 1 30.44 5.71 2.9368 0 -2 3 30.70 8.73 2.9119 -1 -1 4 30.98 1.08 2.8869 1 0 4 31.08 75.49 2.8772 0 0 5 31.26 19.39 2.8616 1 2 1 31.50 1.63 2.8401 -1 -2 2 31.93 10.16 2.8029 0 2 3 32.08 1.30 2.7904 -1 2 2 32.30 72.01 2.7718 1 -2 2 32.73 20.95 2.7363 2 0 0 32.75 40.30 2.7344 -2 0 1 32.90 7.90 2.7220 1 -1 4 33.63 54.25 2.6648 1 2 2 33.85 2.73 2.6484 -1 0 5 33.97 14.46 2.6390 -2 0 2 34.01 25.44 2.6359 -1 -2 3 34.03 14.24 2.6345 1 1 4 35.00 33.35 2.5636 -1 2 3 35.30 1.41 2.5429 2 1 0 35.71 9.65 2.5145 -1 -1 5 35.93 1.36 2.4995 2 -1 1 36.17 2.10 2.4832 2 0 2 36.28 12.89 2.4761 -2 0 3 36.51 1.38 2.4613 2 1 1 36.59 5.32 2.4559 1 0 5 36.62 2.25 2.4540 -1 1 5 37.46 4.40 2.4005 -1 -2 4 37.51 7.24 2.3977 0 0 6 37.94 2.46 2.3716 0 -3 1 38.16 1.10 2.3582 1 -1 5 38.33 1.26 2.3482 -2 -1 3 38.79 2.17 2.3215 -1 2 4 39.21 3.99 2.2975 0 -3 2 39.21 1.82 2.2973 0 -2 5 39.38 4.16 2.2883 2 0 3 39.52 1.51 2.2805 -2 0 4 41.05 2.03 2.1987 -1 3 0 41.17 1.59 2.1924 -1 -1 6 41.21 3.24 2.1907 0 2 5 41.23 3.06 2.1896 -2 2 0 41.33 1.17 2.1843 -2 -1 4 41.44 2.64 2.1788 -2 2 1 41.46 1.89 2.1782 0 -3 3 41.60 2.55 2.1708 -1 3 1 41.69 2.86 2.1663 -2 -2 1 41.87 3.69 2.1577 2 2 0 42.01 1.60 2.1508 2 -2 1 42.18 3.67 2.1426 -1 1 6 42.45 1.57 2.1295 -1 -3 2 42.50 9.51 2.1269 -2 -2 2 42.52 2.82 2.1259 1 0 6 42.64 4.70 2.1205 -2 2 2 43.01 1.50 2.1028 2 2 1 43.18 1.90 2.0952 0 3 3 43.34 11.00 2.0877 2 0 4 43.69 5.46 2.0720 1 -2 5 43.73 7.75 2.0698 2 -2 2 43.83 2.58 2.0657 1 -1 6 44.06 4.52 2.0552 0 0 7 44.33 2.40 2.0432 -1 -3 3 44.55 1.44 2.0338 0 -3 4 44.75 1.16 2.0253 -2 2 3 45.08 10.52 2.0113 2 2 2 45.10 1.49 2.0101 -2 -1 5 45.23 2.36 2.0048 1 -3 3 45.31 3.16 2.0013 0 -1 7 45.71 1.46 1.9849 -2 1 5 45.72 2.29 1.9846 -1 0 7 45.81 5.30 1.9806 1 2 5 46.33 3.49 1.9599 2 -2 3 46.57 6.51 1.9503 0 1 7 46.71 1.14 1.9446 0 3 4 46.85 1.76 1.9391 -2 -2 4 47.27 2.66 1.9228 1 3 3 47.93 1.75 1.8981 2 0 5 47.96 1.30 1.8970 2 2 3 48.12 11.81 1.8911 -2 0 6 48.34 4.56 1.8827 1 -3 4 48.74 7.20 1.8682 1 -2 6 49.81 2.60 1.8307 -3 0 1 50.10 1.94 1.8207 0 -2 7 50.25 1.40 1.8155 2 1 5 50.37 2.77 1.8116 -2 3 0 50.64 1.01 1.8027 -2 3 1 50.79 2.38 1.7976 1 3 4 50.95 9.01 1.7922 2 -3 1 51.04 8.34 1.7894 1 2 6 51.06 29.25 1.7888 0 4 0 51.15 1.05 1.7858 0 -4 1 51.19 4.74 1.7845 2 3 0 51.51 1.67 1.7741 -3 1 0 51.57 7.06 1.7723 -2 -3 2 51.65 1.39 1.7697 -3 -1 1 51.74 1.30 1.7668 -1 -2 7 51.74 1.93 1.7667 -2 3 2 52.06 1.64 1.7567 -1 0 8 52.22 1.41 1.7518 -3 -1 2 52.26 2.23 1.7505 2 3 1 52.41 2.62 1.7458 0 2 7 52.59 4.92 1.7402 -1 3 5 52.81 1.91 1.7336 0 -3 6 53.15 1.62 1.7231 -1 -1 8 53.24 5.02 1.7206 -2 0 7 53.60 2.28 1.7097 -3 -1 3 53.69 4.25 1.7072 -3 1 3 53.74 2.76 1.7057 -1 2 7 53.95 1.48 1.6996 1 -4 1 54.07 2.86 1.6959 2 -1 6 54.19 2.68 1.6925 3 -1 2 54.23 5.86 1.6914 -2 -2 6 54.25 5.35 1.6909 1 -2 7 54.90 1.28 1.6724 3 1 2 55.04 1.76 1.6685 1 -4 2 55.10 1.32 1.6668 1 4 1 55.28 1.09 1.6618 2 1 6 55.60 4.02 1.6530 -2 2 6 55.77 1.33 1.6484 -3 -1 4 56.11 2.27 1.6390 0 -2 8 56.24 7.37 1.6358 -3 2 1 56.26 4.83 1.6352 -3 2 0 56.27 2.11 1.6347 -1 -4 3 56.32 2.17 1.6336 0 -4 4 56.32 1.97 1.6335 -2 3 4 56.69 8.62 1.6238 -3 -2 1 56.69 4.29 1.6237 1 2 7 56.74 1.59 1.6223 2 3 3 57.02 4.08 1.6152 3 2 0 57.06 2.56 1.6140 3 -2 1 57.27 1.94 1.6086 -3 0 5 57.45 7.56 1.6041 -1 -2 8 57.48 1.26 1.6032 1 1 8 57.61 1.01 1.5999 -1 4 3 57.67 5.55 1.5985 0 0 9 57.78 4.61 1.5958 0 -3 7 58.12 1.26 1.5871 3 2 1 58.15 1.11 1.5863 -2 -3 5 58.38 1.76 1.5807 -3 -2 3 58.54 2.32 1.5768 -3 2 3 58.56 5.00 1.5762 0 2 8 58.59 3.81 1.5756 2 0 7 58.64 1.68 1.5744 3 -2 2 58.65 1.78 1.5741 -3 -1 5 58.76 1.97 1.5714 0 4 4 58.82 3.26 1.5700 3 0 4 58.83 1.22 1.5698 -2 -2 7 59.51 6.10 1.5534 0 -4 5 59.61 8.10 1.5509 -1 2 8 59.88 1.31 1.5446 -2 -1 8 59.90 1.18 1.5441 0 1 9 59.98 1.04 1.5424 3 2 2 60.35 1.60 1.5336 -3 -2 4 60.81 2.52 1.5233 -3 2 4 60.84 1.02 1.5226 3 1 4 61.09 1.63 1.5170 2 -3 5 61.50 1.75 1.5078 -2 4 0 61.81 5.27 1.5010 -2 4 1 62.18 3.24 1.4929 -2 -4 1 62.45 5.01 1.4870 0 4 5 62.46 1.84 1.4869 2 4 0 62.65 2.16 1.4829 -2 -4 2 62.74 2.21 1.4810 1 -1 9 62.86 3.07 1.4785 -2 4 2 63.12 1.27 1.4729 2 -4 2 63.23 1.23 1.4707 0 -3 8 63.40 6.86 1.4671 2 -2 7 63.55 1.28 1.4641 -1 -2 9 63.64 1.07 1.4621 -2 3 6 63.85 1.92 1.4579 -2 -4 3 63.88 1.26 1.4573 -1 4 5 63.93 2.03 1.4562 3 -2 4 63.94 2.11 1.4559 -2 -2 8 63.98 1.73 1.4552 2 3 5 64.56 4.12 1.4434 2 0 8 64.81 1.62 1.4386 0 0 10 65.01 2.18 1.4345 2 -4 3 65.20 1.48 1.4308 2 4 2 65.28 2.18 1.4293 2 -3 6 65.57 1.26 1.4237 -1 0 10 65.75 1.94 1.4202 -2 2 8 65.77 2.84 1.4199 3 2 4 65.86 5.87 1.4180 2 2 7 65.87 2.51 1.4180 -3 -3 3 65.88 1.04 1.4178 -1 2 9 65.91 1.40 1.4172 0 5 1 65.93 1.78 1.4168 0 -5 2 65.95 2.39 1.4165 -2 -3 7 66.09 1.67 1.4137 1 4 5 66.37 1.71 1.4085 -3 -2 6 66.38 1.95 1.4083 -1 -1 10 66.96 1.79 1.3976 1 -3 8 67.36 1.88 1.3902 -3 2 6 67.39 1.41 1.3897 -1 5 0 67.56 1.12 1.3865 3 -2 5 67.59 1.42 1.3859 2 -4 4 67.63 1.77 1.3853 2 4 3 67.66 1.25 1.3847 -1 1 10 67.80 3.70 1.3823 -1 -5 1 67.92 1.58 1.3800 -1 5 1 68.12 1.82 1.3765 3 -1 6 68.27 3.64 1.3739 -4 0 1 68.59 1.66 1.3682 4 0 0 69.00 2.87 1.3611 1 0 10 69.62 6.79 1.3504 4 0 1 71.06 1.05 1.3265 -3 -1 8 71.50 3.58 1.3195 -4 0 4 71.53 1.46 1.3191 -1 -5 4 71.60 1.89 1.3180 -2 -4 6 72.30 1.24 1.3069 1 -5 4 73.94 4.53 1.2818 -2 4 6 74.00 1.06 1.2810 -1 -4 8 75.53 1.44 1.2588 1 5 4 76.02 1.06 1.2519 -2 -3 9 76.37 1.09 1.2470 -1 -3 10 78.24 2.68 1.2218 0 -4 9 78.29 1.05 1.2212 -2 4 7 80.00 1.33 1.1994 -1 3 10 80.27 1.08 1.1960 -4 3 1 80.29 1.28 1.1958 1 -2 11 80.43 3.24 1.1940 4 0 5 81.33 1.43 1.1831 -4 -3 2 82.15 1.44 1.1733 -3 -1 10 82.17 1.17 1.1731 0 1 12 82.23 1.06 1.1724 -2 -2 11 82.94 1.12 1.1641 0 4 9 83.36 1.47 1.1593 1 2 11 83.40 2.49 1.1589 1 -6 2 83.63 2.02 1.1562 2 4 7 84.08 1.58 1.1512 3 0 9 84.18 1.53 1.1501 2 -4 8 84.51 1.61 1.1465 -1 -6 3 84.72 1.37 1.1441 4 0 6 85.08 2.03 1.1402 -4 0 8 85.59 1.80 1.1348 1 6 2 85.63 1.02 1.1343 -3 5 0 86.19 2.07 1.1283 -1 6 3 86.72 1.28 1.1229 -4 1 8 88.14 1.03 1.1084 -3 5 3 89.16 1.01 1.0983 2 4 8 89.74 1.25 1.0927 0 -3 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.