Murmanite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R110202 Camara F, Sokolova E, Hawthorne F C, Abdu Y Mineralogical Magazine 72 (2008) 1207-1228 From structure topology to chemical composition. IX. Titanium silicates: revision of the crystal chemistry of lomonosovite and murmanite, Group-IV minerals Locality: Yubileynaya pegmatite vein, Karnasut Mountain, Lovozero alkaline massif _database_code_amcsd 0018519 CELL PARAMETERS: 5.3250 7.0090 12.1900 93.570 108.130 90.270 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Na 0.38430 0.82780 0.19944 0.890 2.013 Ca 0.38430 0.82780 0.19944 0.075 2.013 K 0.38430 0.82780 0.19944 0.025 2.013 Na 0.73740 0.61170 0.49032 0.755 2.187 Mn 0.73740 0.61170 0.49032 0.070 2.187 Ca 0.73740 0.61170 0.49032 0.030 2.187 Ti 0.41614 0.32516 0.24050 0.835 1.074 Nb 0.41614 0.32516 0.24050 0.110 1.074 Fe 0.41614 0.32516 0.24050 0.055 1.074 Ti 0.27783 0.88695 0.50472 0.700 1.555 Nb 0.27783 0.88695 0.50472 0.145 1.555 Mn 0.27783 0.88695 0.50472 0.095 1.555 Mg 0.27783 0.88695 0.50472 0.035 1.555 Fe 0.27783 0.88695 0.50472 0.020 1.555 Zr 0.27783 0.88695 0.50472 0.005 1.555 Si 0.92177 0.05009 0.25961 1.000 1.090 Si 0.94748 0.62237 0.27519 1.000 1.200 O 0.13670 0.13650 0.21050 1.000 3.016 O 0.63680 0.13090 0.20230 1.000 2.977 O 0.00140 0.93270 0.59870 1.000 1.350 O 0.89930 0.82480 0.21630 1.000 2.084 O 0.67010 0.51780 0.23950 1.000 3.245 O 0.06150 0.66590 0.41450 1.000 1.674 O 0.16330 0.52000 0.22940 1.000 3.119 O 0.53060 0.30050 0.39400 1.000 1.611 O 0.50330 0.89390 0.41310 1.000 1.405 Ow 0.28150 0.33730 0.04360 1.000 2.961 Ow 0.25280 0.72550 0.00600 1.000 2.835 H 0.30500 0.27700 -0.02000 1.000 3.556 H 0.15200 0.42300 0.02600 1.000 3.556 H 0.24400 0.59880 -0.01300 1.000 3.399 H 0.29000 0.79000 -0.04700 1.000 3.399 Ti 0.38900 0.32510 0.20360 0.020 1.074 Ti 0.45500 0.32500 0.29400 0.050 1.074 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 6 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 19.75047399 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.65 100.00 11.5587 0 0 1 12.66 1.22 6.9931 0 1 0 15.24 20.88 5.8131 0 1 1 15.33 20.53 5.7794 0 0 2 19.26 4.00 4.6093 0 -1 2 21.04 15.84 4.2217 -1 -1 1 21.13 8.69 4.2050 -1 1 1 21.94 1.32 4.0503 1 1 0 22.89 1.20 3.8857 -1 -1 2 23.08 10.15 3.8529 0 0 3 23.54 15.77 3.7798 -1 1 2 24.28 1.71 3.6658 -1 0 3 25.31 4.94 3.5185 1 1 1 25.64 6.21 3.4745 0 -1 3 26.13 1.16 3.4108 0 -2 1 26.80 1.67 3.3267 1 0 2 26.94 1.26 3.3091 -1 -1 3 27.13 1.85 3.2863 0 2 1 28.95 1.33 3.0847 0 -2 2 29.08 3.44 3.0707 1 -1 2 30.71 2.12 2.9112 -1 2 0 30.73 6.13 2.9096 -1 2 1 30.95 32.57 2.8897 0 0 4 31.47 22.45 2.8428 1 2 0 31.72 2.51 2.8206 -1 -2 2 32.64 23.14 2.7438 1 -2 1 33.83 2.96 2.6497 -2 0 1 33.96 11.53 2.6395 -2 0 2 34.17 9.52 2.6242 1 2 1 34.64 2.71 2.5896 -1 -2 3 35.04 1.56 2.5608 1 -1 3 35.88 9.74 2.5030 -2 0 3 36.23 6.52 2.4796 1 -2 2 36.30 7.26 2.4747 -1 2 3 36.53 1.12 2.4595 1 1 3 37.96 1.08 2.3705 -2 -1 3 38.88 1.31 2.3161 -1 -1 5 38.96 1.75 2.3117 0 0 5 39.00 4.55 2.3093 -1 -2 4 39.34 4.03 2.2902 -2 0 4 42.58 1.66 2.1234 -2 2 1 42.84 2.04 2.1108 -2 -2 2 43.06 1.11 2.1005 -2 -2 1 43.29 3.15 2.0900 2 0 2 43.63 1.83 2.0746 -2 2 0 44.03 1.77 2.0565 0 -3 3 44.10 1.08 2.0533 -2 -2 3 44.75 2.85 2.0252 2 2 0 44.92 1.80 2.0178 -2 2 3 45.40 1.86 1.9978 1 3 1 46.89 1.75 1.9377 0 3 3 46.97 1.97 1.9347 1 -2 4 47.55 1.92 1.9123 -1 1 6 49.74 3.93 1.8329 -2 0 6 49.91 4.02 1.8274 1 2 4 50.81 1.11 1.7968 1 1 5 50.93 1.15 1.7931 -2 -1 6 51.96 1.78 1.7600 -2 3 1 52.33 2.30 1.7483 0 4 0 52.40 5.65 1.7460 0 -4 1 52.51 1.32 1.7426 -2 2 5 52.58 1.79 1.7405 -2 -3 1 53.59 4.69 1.7102 1 -2 5 53.71 1.26 1.7067 -1 2 6 55.61 1.09 1.6527 -3 1 4 56.23 2.02 1.6360 -2 0 7 57.17 2.18 1.6113 2 2 3 57.76 2.13 1.5961 -1 -2 7 58.15 3.66 1.5864 -3 2 2 58.47 3.50 1.5785 -3 -2 2 58.63 1.71 1.5745 -3 -2 3 58.65 2.64 1.5740 -3 2 1 59.51 2.43 1.5533 0 4 3 60.28 1.07 1.5354 2 -2 4 60.99 1.95 1.5192 -1 2 7 61.35 1.11 1.5111 -2 -2 7 62.14 1.01 1.4937 2 -3 3 62.29 1.30 1.4905 2 0 5 64.00 2.14 1.4548 -2 4 2 64.44 1.68 1.4459 -2 -4 3 64.49 1.04 1.4448 0 0 8 64.65 1.11 1.4417 0 -4 5 65.38 1.54 1.4274 -1 -2 8 68.38 1.26 1.3719 2 -4 2 70.02 1.09 1.3437 2 0 6 70.79 1.03 1.3310 -4 0 3 72.62 1.59 1.3019 -4 0 1 73.25 1.14 1.2923 -4 0 5 77.96 1.09 1.2255 -2 -4 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.