Schullerite Sokolova E, Hawthorne F C, Abdu Y A The Canadian Mineralogist 51 (2013) 715-72 From structure topology to chemical composition. XV. Titanium silicates: revision of the crystal structure and chemical formula of schullerite, Na2Ba2Mg2Ti2(Si2O7)2O2F2, from the Eifel volcanic region, Germany Locality: Eifel volcanic region, Germany _database_code_amcsd 0020054 CELL PARAMETERS: 5.3960 7.0710 10.2260 99.730 99.550 90.090 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 379.056 Density (g/cm3): 3.840 MAX. ABS. INTENSITY / VOLUME**2: 8.452252207 RIR: 0.717 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.90 69.19 9.9346 0 0 1 2 17.54 1.14 5.0572 -1 0 1 2 17.86 1.58 4.9673 0 0 2 2 20.09 4.14 4.4188 0 -1 2 2 20.22 5.75 4.3911 1 0 1 2 20.70 4.98 4.2909 -1 1 0 2 21.10 12.47 4.2111 -1 -1 1 2 21.32 8.97 4.1666 1 1 0 2 22.32 22.16 3.9834 -1 1 1 2 22.33 11.98 3.9805 -1 0 2 2 22.82 31.60 3.8965 1 -1 1 2 23.72 19.36 3.7514 0 1 2 2 24.45 45.64 3.6407 -1 -1 2 2 25.04 55.75 3.5561 1 1 1 2 25.58 19.77 3.4830 0 2 0 2 25.61 21.57 3.4786 0 -2 1 2 26.54 26.10 3.3588 1 0 2 2 26.92 61.03 3.3115 0 0 3 2 27.05 60.85 3.2969 -1 1 2 2 27.77 33.33 3.2122 0 -1 3 2 27.88 51.97 3.1996 1 -1 2 2 28.58 23.53 3.1237 0 2 1 2 28.67 19.48 3.1141 0 -2 2 2 29.27 29.96 3.0515 -1 0 3 2 30.28 37.71 2.9519 -1 -1 3 2 31.09 33.75 2.8770 1 1 2 2 31.12 23.04 2.8740 1 2 0 2 31.12 25.67 2.8738 1 -2 1 2 31.85 38.55 2.8096 0 1 3 2 32.04 93.10 2.7933 -1 2 1 2 32.15 100.00 2.7843 -1 -2 2 2 33.38 28.66 2.6845 -2 0 1 2 33.68 13.24 2.6609 -1 1 3 2 33.70 67.20 2.6594 2 0 0 2 33.87 9.59 2.6463 0 2 2 2 34.00 9.53 2.6366 0 -2 3 2 34.22 25.03 2.6200 1 0 3 2 34.44 26.21 2.6038 1 2 1 2 34.50 25.96 2.5999 1 -2 2 2 34.72 9.06 2.5840 1 -1 3 2 35.50 3.75 2.5286 -2 0 2 2 36.04 1.11 2.4919 -2 1 1 2 36.25 32.85 2.4778 0 -1 4 2 36.31 1.42 2.4742 -1 -2 3 2 36.42 10.34 2.4671 2 0 1 2 37.11 3.61 2.4227 -2 -1 2 2 37.29 17.77 2.4117 -1 0 4 2 37.56 1.61 2.3949 -1 -1 4 2 37.81 4.62 2.3793 2 -1 1 2 38.58 4.83 2.3336 -2 1 2 2 39.61 7.46 2.2754 2 1 1 2 39.94 3.72 2.2574 0 -3 2 2 40.60 16.84 2.2219 0 1 4 2 40.68 8.66 2.2178 -2 -1 3 2 41.11 13.54 2.1955 2 0 2 2 41.43 7.43 2.1797 0 3 1 2 41.85 5.07 2.1586 -1 -3 1 2 41.87 10.08 2.1574 2 -1 2 2 41.98 5.08 2.1522 -1 3 0 2 42.02 17.75 2.1502 -1 2 3 2 42.12 23.41 2.1455 -2 2 0 2 42.14 6.18 2.1441 1 -3 1 2 42.18 22.66 2.1425 -2 -2 1 2 42.19 16.40 2.1419 -1 -2 4 2 42.61 1.35 2.1219 1 -1 4 2 42.70 7.84 2.1177 1 0 4 2 42.77 6.37 2.1141 -1 -3 2 2 42.85 18.37 2.1103 -2 2 1 2 42.96 16.65 2.1055 -2 -2 2 2 42.97 3.92 2.1047 1 3 0 2 43.05 10.80 2.1012 -2 1 3 2 43.42 11.67 2.0841 2 -2 1 2 43.44 12.52 2.0833 2 2 0 2 43.60 13.98 2.0761 0 -3 3 2 43.84 4.51 2.0650 -1 3 1 2 44.32 5.29 2.0437 1 -3 2 2 44.50 13.33 2.0359 2 1 2 2 45.26 8.62 2.0036 0 -1 5 2 45.54 2.67 1.9917 -2 2 2 2 45.58 7.26 1.9902 -2 0 4 2 45.65 5.24 1.9875 -1 -3 3 2 45.66 1.15 1.9869 0 0 5 2 45.68 2.61 1.9860 -2 -2 3 2 45.74 4.86 1.9834 -1 -1 5 2 45.89 18.03 1.9774 0 3 2 2 45.96 12.78 1.9744 -2 -1 4 2 45.99 5.49 1.9736 -1 0 5 2 46.02 7.99 1.9720 1 3 1 2 46.40 6.71 1.9568 1 2 3 2 46.52 7.81 1.9520 1 -2 4 2 46.60 1.53 1.9491 2 2 1 2 46.62 1.09 1.9482 2 -2 2 2 46.77 5.08 1.9423 1 1 4 2 47.54 12.33 1.9128 2 -1 3 2 47.54 7.89 1.9125 -1 3 2 2 48.29 5.08 1.8845 1 -3 3 2 48.88 14.40 1.8632 0 -3 4 2 49.02 10.06 1.8582 -2 1 4 2 49.84 3.75 1.8297 0 1 5 2 50.00 6.72 1.8242 -1 1 5 2 50.20 3.72 1.8172 -1 -3 4 2 50.73 1.98 1.7995 1 3 2 2 50.81 6.50 1.7971 2 1 3 2 51.25 6.22 1.7825 1 -1 5 2 51.71 48.04 1.7677 0 -4 1 2 51.76 2.68 1.7662 1 0 5 2 51.82 8.20 1.7642 0 3 3 2 51.88 1.41 1.7623 -2 -3 2 2 52.14 2.18 1.7541 2 -3 1 2 52.51 1.81 1.7428 -2 3 1 2 52.57 5.15 1.7408 -2 -1 5 2 52.90 1.65 1.7308 -3 1 0 2 53.09 1.95 1.7252 -3 -1 2 2 53.15 1.45 1.7233 2 3 0 2 53.74 2.70 1.7058 3 1 0 2 53.93 5.10 1.7001 -3 1 2 2 54.05 2.07 1.6966 3 0 1 2 54.43 2.69 1.6857 -3 0 3 2 54.44 2.65 1.6854 2 -1 4 2 54.63 4.94 1.6800 -1 -1 6 2 54.65 8.53 1.6794 2 0 4 2 54.95 5.73 1.6710 3 -1 1 2 55.08 1.33 1.6674 0 4 1 2 55.25 1.67 1.6625 -1 0 6 2 55.32 5.43 1.6608 -3 -1 3 2 55.47 3.04 1.6567 0 -3 5 2 55.73 4.97 1.6493 1 1 5 2 55.76 1.64 1.6485 -2 2 4 2 55.95 1.26 1.6434 -2 -2 5 2 56.18 2.02 1.6374 -2 1 5 2 56.30 2.10 1.6341 2 3 1 2 56.58 6.54 1.6267 3 1 1 2 56.92 1.18 1.6178 -1 4 1 2 56.95 5.15 1.6170 -3 1 3 2 57.09 1.55 1.6134 -1 -4 3 2 57.19 16.98 1.6106 -1 2 5 2 57.40 17.10 1.6054 -1 -2 6 2 57.42 2.88 1.6049 -2 -3 4 2 57.62 10.07 1.5998 -3 2 0 2 57.62 1.09 1.5998 2 -2 4 2 57.68 9.63 1.5982 -3 -2 1 2 57.69 11.14 1.5980 -3 2 1 2 57.79 11.94 1.5955 -3 -2 2 2 58.12 4.58 1.5872 3 0 2 2 58.23 1.66 1.5845 2 1 4 2 58.51 5.02 1.5775 2 -3 3 2 58.58 3.65 1.5758 3 -1 2 2 58.66 4.05 1.5739 -3 0 4 2 59.00 2.53 1.5656 1 4 1 2 59.10 2.39 1.5631 1 -4 3 2 59.11 2.98 1.5629 -3 -1 4 2 59.15 1.59 1.5619 0 4 2 2 59.16 1.02 1.5616 3 -2 1 2 59.20 2.36 1.5607 -1 1 6 2 59.35 1.16 1.5571 0 -4 4 2 59.52 7.51 1.5532 -2 3 3 2 60.42 3.16 1.5322 -1 4 2 2 60.47 1.30 1.5309 1 -3 5 2 60.54 2.05 1.5293 1 -1 6 2 60.64 2.67 1.5270 -1 -4 4 2 60.70 1.21 1.5257 -2 0 6 2 60.93 7.82 1.5205 2 3 2 2 61.39 1.03 1.5103 1 0 6 2 62.25 3.40 1.4913 3 2 1 2 62.26 2.98 1.4912 3 -2 2 2 62.42 9.20 1.4877 -2 -3 5 2 62.61 2.90 1.4838 -3 2 3 2 62.73 17.85 1.4811 1 2 5 2 62.77 2.62 1.4804 -3 -2 4 2 62.89 6.12 1.4777 -2 4 0 2 62.90 17.27 1.4776 1 -2 6 2 62.94 4.00 1.4768 2 0 5 2 63.02 6.32 1.4751 -2 -4 2 2 63.13 12.20 1.4728 2 -4 1 2 63.19 12.74 1.4715 -2 -4 1 2 63.27 1.61 1.4698 -1 -3 6 2 63.40 3.08 1.4671 1 4 2 2 63.56 2.72 1.4637 1 -4 4 2 63.56 2.64 1.4637 3 0 3 2 63.86 8.76 1.4577 2 -3 4 2 64.03 1.24 1.4541 1 3 4 2 64.16 1.10 1.4514 -1 -1 7 2 64.20 1.87 1.4507 -2 4 1 2 64.24 2.76 1.4499 -3 0 5 2 64.39 1.35 1.4469 -2 -4 3 2 65.14 6.37 1.4321 -2 3 4 2 65.23 2.24 1.4303 -3 3 0 2 65.32 2.01 1.4285 -1 4 3 2 65.39 1.57 1.4273 -3 -3 2 2 65.61 2.61 1.4230 -1 -4 5 2 65.66 1.02 1.4220 -3 -3 1 2 65.80 10.67 1.4192 0 0 7 2 66.10 1.89 1.4135 -1 2 6 2 66.30 1.03 1.4097 3 -3 1 2 66.32 2.05 1.4094 -1 -2 7 2 66.57 2.33 1.4048 0 2 6 2 66.63 1.65 1.4037 -3 -3 3 2 66.77 2.09 1.4010 0 -2 7 2 66.87 5.11 1.3991 2 3 3 2 66.93 2.35 1.3980 -1 3 5 2 67.27 1.10 1.3918 -3 1 5 2 67.43 1.93 1.3889 3 3 0 2 67.61 1.83 1.3857 -3 3 2 2 68.26 1.68 1.3741 1 -3 6 2 68.69 3.24 1.3664 -2 -3 6 2 68.86 1.71 1.3635 3 -3 2 2 69.12 1.45 1.3589 1 4 3 2 69.34 1.27 1.3553 -3 -3 4 2 69.34 1.63 1.3552 1 -4 5 2 69.45 1.60 1.3533 1 -5 2 2 69.63 15.73 1.3502 -2 0 7 2 69.76 9.05 1.3482 -4 0 1 2 69.94 1.63 1.3451 3 -1 4 2 70.11 10.47 1.3422 -4 0 2 2 70.21 2.98 1.3406 -1 -5 3 2 70.24 1.00 1.3401 3 0 4 2 70.38 3.44 1.3378 1 5 0 2 70.44 1.72 1.3367 2 -3 5 2 70.65 1.06 1.3332 3 3 1 2 70.74 1.76 1.3318 -3 -1 6 2 70.87 1.96 1.3297 4 0 0 2 71.25 4.81 1.3235 -1 5 1 2 71.43 1.81 1.3206 -1 -3 7 2 71.51 1.34 1.3194 -1 4 4 2 71.78 3.61 1.3151 1 -5 3 2 71.84 1.25 1.3141 -1 -4 6 2 71.97 1.35 1.3121 -2 3 5 2 72.10 6.47 1.3100 2 0 6 2 72.29 2.52 1.3070 1 3 5 2 72.54 1.96 1.3032 3 2 3 2 72.60 2.00 1.3022 3 -2 4 2 73.06 2.55 1.2952 -1 -5 4 2 73.18 2.35 1.2933 -3 2 5 2 73.34 2.80 1.2909 1 5 1 2 73.39 2.47 1.2901 -3 -2 6 2 73.42 1.44 1.2897 4 0 1 2 73.49 1.84 1.2886 3 1 4 2 73.71 1.57 1.2853 0 5 2 2 74.29 1.82 1.2767 -3 1 6 2 74.73 1.10 1.2703 -1 5 2 2 75.41 1.11 1.2605 -4 2 1 2 75.57 1.75 1.2582 -1 3 6 2 75.66 1.05 1.2570 -4 -1 4 2 75.69 1.39 1.2565 4 1 1 2 76.47 2.52 1.2456 0 -5 5 2 76.58 1.09 1.2442 -4 -2 3 2 76.74 2.61 1.2419 0 2 7 2 76.96 2.56 1.2389 0 -2 8 2 76.96 1.35 1.2389 -2 -5 3 2 77.06 1.52 1.2376 1 -3 7 2 77.32 1.85 1.2341 2 -5 2 2 77.42 1.52 1.2327 3 -1 5 2 77.52 2.04 1.2314 -4 1 4 2 77.60 1.08 1.2304 4 -2 1 2 77.64 1.19 1.2298 4 2 0 2 77.64 1.86 1.2297 4 -1 2 2 77.72 1.16 1.2288 -2 5 1 2 78.46 1.16 1.2189 2 5 0 2 78.48 1.68 1.2187 2 4 3 2 78.66 1.46 1.2164 2 -4 5 2 79.00 2.34 1.2120 0 5 3 2 79.28 1.37 1.2083 -2 -5 4 2 79.48 1.84 1.2058 -2 0 8 2 79.56 2.30 1.2049 3 2 4 2 79.65 2.34 1.2037 3 -2 5 2 79.89 2.29 1.2007 -4 -1 5 2 79.94 2.02 1.2001 4 1 2 2 80.00 1.07 1.1993 2 -5 3 2 80.34 2.42 1.1951 -3 2 6 2 80.57 2.39 1.1923 -3 -2 7 2 80.66 1.27 1.1912 -2 5 2 2 81.48 1.17 1.1812 3 4 1 2 81.52 1.37 1.1808 3 -4 3 2 81.76 1.50 1.1779 2 5 1 2 81.81 1.17 1.1774 -3 4 3 2 81.86 2.44 1.1767 0 -6 1 2 81.91 2.50 1.1762 0 -6 2 2 82.12 1.16 1.1737 -3 -4 5 2 82.21 3.69 1.1727 2 0 7 2 82.40 1.71 1.1703 -4 1 5 2 82.48 1.86 1.1695 0 -5 6 2 82.57 2.10 1.1684 4 -1 3 2 82.84 1.51 1.1653 -1 -5 6 2 82.98 1.11 1.1637 -2 -5 5 2 83.32 1.08 1.1597 1 5 3 2 84.05 1.33 1.1516 2 -5 4 2 84.96 2.60 1.1416 -1 6 0 2 85.13 3.10 1.1397 -1 -6 3 2 85.45 1.75 1.1362 -4 -1 6 2 85.51 1.57 1.1356 4 1 3 2 85.58 1.95 1.1348 0 5 4 2 85.63 1.40 1.1343 -4 0 6 2 85.69 1.83 1.1336 -1 5 4 2 86.24 1.05 1.1279 0 3 7 2 86.31 1.71 1.1272 1 6 0 2 86.39 1.66 1.1262 1 -6 3 2 86.54 1.94 1.1247 -4 3 3 2 86.59 1.68 1.1242 -1 2 8 2 86.71 1.01 1.1229 -3 4 4 2 86.72 2.03 1.1229 4 -3 2 2 86.85 1.84 1.1215 -1 -2 9 2 86.95 1.89 1.1205 1 -5 6 2 86.97 1.13 1.1203 1 1 8 2 87.08 1.02 1.1191 -3 -4 6 2 87.80 1.82 1.1117 3 2 5 2 87.88 1.63 1.1109 0 2 8 2 87.92 1.82 1.1106 3 -2 6 2 88.11 4.75 1.1087 0 4 6 2 88.13 1.57 1.1085 0 -2 9 2 88.32 1.21 1.1066 3 3 4 2 88.51 5.35 1.1047 0 -4 8 2 88.60 1.52 1.1038 0 0 9 2 88.64 2.16 1.1034 4 3 1 2 88.69 2.17 1.1029 -4 -3 5 2 88.73 1.35 1.1026 -3 2 7 2 88.85 1.35 1.1013 -3 5 1 2 88.98 1.20 1.1001 -3 -2 8 2 89.70 1.02 1.0931 -1 -5 7 2 89.77 1.62 1.0925 3 -5 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.