Lomonosovite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070465 Belov N V, Gavrilova G S, Solov'eva L P, Khalilov A D Soviet Physics Doklady 22 (1977) 422-424 The refined structure of lomonosovite CELL PARAMETERS: 5.3563 7.0810 14.4540 100.585 96.043 90.065 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Na 0.16900 0.41800 0.23490 1.000 1.650 Na 0.75700 0.88200 -0.00370 1.000 2.110 Na 0.68200 0.97300 0.35970 1.000 0.940 Na 0.67700 0.45900 0.39750 1.000 1.910 Na 0.23900 0.73800 0.41480 1.000 1.760 Ti 0.16580 0.92710 0.21780 1.000 0.060 Ti 0.76980 0.38650 -0.00760 1.000 0.430 Si 0.66710 0.20310 0.17640 1.000 0.630 Si 0.64870 0.63870 0.19850 1.000 0.560 P 0.18010 0.22420 0.43270 1.000 0.780 O 0.67100 0.43000 0.23200 1.000 0.970 O 0.64200 0.19700 0.06600 1.000 1.420 O 0.92500 0.12000 0.21300 1.000 1.920 O 0.43200 0.10300 0.20900 1.000 2.030 O 0.59800 0.60900 0.08400 1.000 1.110 O 0.90400 0.75300 0.24700 1.000 1.380 O 0.41300 0.73400 0.25000 1.000 1.220 O 0.13200 0.83100 0.09100 1.000 1.380 O 0.23500 0.03400 0.36800 1.000 1.320 O 0.09200 0.42600 0.07100 1.000 1.130 O 0.90100 0.22500 0.44300 1.000 1.910 O 0.25000 0.40000 0.39100 1.000 1.650 O 0.32600 0.22800 0.53000 1.000 1.420 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 6 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 6.360073809 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.26 75.73 14.1260 0 0 1 12.53 3.47 7.0630 0 0 2 13.10 11.21 6.7573 0 -1 1 15.20 5.86 5.8300 0 1 1 16.14 34.43 5.4904 0 -1 2 18.42 1.94 4.8154 1 0 1 18.85 2.16 4.7087 0 0 3 19.49 5.71 4.5541 0 1 2 19.77 1.61 4.4901 -1 0 2 20.92 32.36 4.2471 -1 -1 1 21.22 11.47 4.1870 1 1 0 21.56 33.90 4.1210 1 -1 1 21.90 1.82 4.0589 -1 1 1 21.96 8.89 4.0484 1 0 2 22.47 6.67 3.9572 -1 -1 2 23.84 1.32 3.7318 -1 0 3 24.05 12.32 3.7009 1 -1 2 24.65 1.96 3.6122 -1 1 2 24.71 14.32 3.6029 0 1 3 25.20 1.85 3.5336 0 -2 1 25.22 20.29 3.5315 0 0 4 25.55 2.04 3.4857 -1 -1 3 25.60 1.61 3.4795 0 2 0 26.10 6.71 3.4141 0 -1 4 27.51 2.34 3.2422 0 2 1 28.59 11.61 3.1219 -1 1 3 28.80 1.54 3.1004 -1 0 4 28.95 14.90 3.0841 0 -2 3 29.73 6.84 3.0046 -1 -1 4 30.44 1.68 2.9368 1 -2 1 30.67 13.20 2.9150 0 2 2 30.90 26.00 2.8938 -1 -2 2 31.67 20.97 2.8253 -1 2 1 31.67 79.03 2.8252 0 0 5 31.80 4.83 2.8137 1 -2 2 31.87 1.94 2.8077 1 0 4 32.45 1.41 2.7594 1 -1 4 32.62 2.62 2.7452 0 -2 4 32.80 46.92 2.7308 -1 -2 3 32.97 7.17 2.7166 1 2 1 33.57 23.58 2.6693 -2 0 1 33.66 45.33 2.6627 2 0 0 34.14 63.30 2.6263 -1 2 2 34.30 5.32 2.6146 -1 0 5 34.35 33.31 2.6109 1 -2 3 34.66 10.36 2.5884 -1 -1 5 34.78 3.73 2.5797 0 2 3 34.95 14.29 2.5669 2 0 1 36.03 21.23 2.4929 1 2 2 36.35 5.74 2.4717 1 1 4 37.35 10.11 2.4077 2 0 2 37.61 3.75 2.3917 1 0 5 37.86 4.08 2.3762 1 -2 4 38.01 1.15 2.3673 2 1 1 38.02 1.82 2.3669 0 -1 6 38.23 6.56 2.3543 0 0 6 38.55 4.95 2.3355 0 -3 2 39.65 2.18 2.2731 -1 -2 5 39.95 4.67 2.2568 1 2 3 40.17 2.02 2.2450 -2 0 4 40.64 1.30 2.2198 2 1 2 40.68 10.81 2.2180 2 0 3 41.83 2.89 2.1594 -1 2 4 42.02 1.28 2.1503 -1 -3 2 42.31 2.53 2.1363 -2 2 0 42.39 2.80 2.1323 -2 -2 1 42.49 1.17 2.1276 1 -3 2 42.57 1.64 2.1235 -2 -2 2 42.76 1.10 2.1147 0 1 6 43.37 3.95 2.0863 1 -1 6 43.58 1.51 2.0769 -2 1 4 43.67 2.14 2.0726 1 0 6 43.75 12.59 2.0691 -2 -2 3 43.94 8.09 2.0605 2 -2 2 44.16 8.68 2.0507 -2 0 5 44.21 2.84 2.0486 -1 -2 6 44.65 3.44 2.0294 -2 2 2 44.91 1.23 2.0183 0 2 5 44.92 3.18 2.0180 0 0 7 45.00 7.64 2.0145 2 2 1 45.17 7.07 2.0075 -1 -3 4 45.79 1.32 1.9818 -1 3 2 45.79 1.53 1.9814 0 -3 5 46.69 1.51 1.9454 -1 2 5 46.74 2.12 1.9433 0 3 3 47.20 1.07 1.9257 -2 2 3 48.81 1.23 1.8659 -2 0 6 49.24 2.67 1.8504 2 -2 4 49.29 3.76 1.8489 0 1 7 49.33 4.66 1.8472 -1 -2 7 49.46 2.43 1.8429 2 -1 5 49.49 12.63 1.8416 2 0 5 50.02 2.12 1.8233 1 0 7 50.55 1.32 1.8057 -1 1 7 51.72 1.25 1.7675 -1 -3 6 51.72 3.55 1.7675 -2 3 0 51.74 28.01 1.7668 0 -4 1 51.86 1.62 1.7631 -2 -3 1 52.06 9.04 1.7568 -1 2 6 52.13 1.23 1.7545 -1 -1 8 52.39 7.61 1.7466 -2 -3 3 52.42 1.26 1.7456 -2 1 6 52.49 5.72 1.7434 2 -3 2 52.71 6.13 1.7365 -1 3 4 53.13 1.36 1.7237 2 1 5 53.15 1.01 1.7232 -3 0 3 53.15 2.71 1.7231 -3 -1 2 53.69 5.61 1.7071 0 -2 8 54.47 5.30 1.6845 0 -3 7 54.75 4.39 1.6767 2 0 6 54.93 3.15 1.6716 -1 -2 8 55.46 2.01 1.6569 3 -1 2 55.54 1.68 1.6545 -3 1 3 56.79 3.15 1.6212 0 -4 5 56.81 9.43 1.6205 0 2 7 56.84 4.97 1.6198 -2 -2 7 57.37 2.27 1.6060 2 3 2 57.67 1.62 1.5985 -2 1 7 57.81 2.74 1.5948 -3 2 0 57.87 5.00 1.5935 -1 2 7 57.93 7.59 1.5919 -3 -2 2 58.01 2.44 1.5898 -3 -2 1 58.13 8.84 1.5868 -3 2 1 58.28 7.47 1.5832 1 -2 8 58.30 1.95 1.5827 3 -2 1 58.65 1.31 1.5741 -3 -2 3 58.77 2.07 1.5712 -3 -1 5 58.84 2.96 1.5696 0 0 9 58.90 1.90 1.5680 3 2 0 59.19 1.50 1.5609 -2 2 6 59.25 3.10 1.5596 -3 2 2 59.58 1.13 1.5518 3 -2 2 59.64 3.15 1.5502 -2 0 8 59.66 1.27 1.5498 0 -3 8 59.84 1.53 1.5456 2 -1 7 59.99 5.33 1.5420 0 -4 6 60.15 1.30 1.5383 -3 -2 4 60.87 2.22 1.5219 3 0 4 60.90 1.17 1.5212 -1 -3 8 61.13 1.71 1.5159 -3 2 3 61.38 8.14 1.5105 1 2 7 61.62 1.31 1.5052 3 -2 3 61.75 3.29 1.5023 -2 -2 8 61.76 2.04 1.5021 -1 -4 6 62.12 1.38 1.4942 -3 -1 6 62.41 1.35 1.4880 -3 -2 5 62.43 3.11 1.4875 2 -2 7 62.48 1.45 1.4865 1 -1 9 62.90 5.23 1.4775 2 -4 1 62.97 1.93 1.4760 -2 -4 2 63.23 1.90 1.4706 -2 4 0 63.34 3.67 1.4684 2 -4 2 63.41 3.34 1.4669 -2 -4 1 63.69 1.12 1.4611 1 -4 6 63.75 1.57 1.4599 -3 2 4 63.87 5.47 1.4575 0 4 4 64.06 2.23 1.4536 -2 3 5 64.37 1.32 1.4473 -2 2 7 64.38 2.07 1.4471 3 -2 4 64.60 2.77 1.4427 2 4 0 65.16 3.09 1.4316 2 2 6 65.32 1.51 1.4285 -1 4 4 65.47 1.71 1.4256 -1 -1 10 65.74 2.19 1.4205 -2 0 9 66.07 2.65 1.4141 3 2 3 66.22 1.56 1.4114 -2 -4 5 66.65 1.78 1.4032 -1 0 10 67.12 1.54 1.3946 -3 -3 4 67.27 1.86 1.3918 0 5 0 67.44 2.37 1.3888 -2 -3 8 67.83 1.24 1.3817 1 2 8 67.94 2.56 1.3797 2 -2 8 68.04 1.33 1.3780 2 -3 7 68.57 1.07 1.3686 -1 -5 2 68.58 1.29 1.3685 1 -5 2 68.69 3.12 1.3665 -2 4 3 68.99 1.02 1.3612 -3 -2 7 69.58 2.47 1.3511 1 -3 9 69.68 1.03 1.3495 3 0 6 70.06 1.40 1.3431 -2 2 8 70.31 3.86 1.3390 -4 0 1 70.57 1.87 1.3346 -4 0 2 70.82 2.31 1.3305 1 0 10 70.92 1.61 1.3288 2 2 7 71.00 2.19 1.3276 -3 2 6 71.22 2.48 1.3240 -2 -1 10 71.55 2.63 1.3187 -4 0 3 71.90 1.43 1.3131 -2 4 4 71.95 3.07 1.3124 4 0 1 72.39 2.26 1.3054 2 -4 6 73.24 1.84 1.2924 -4 0 4 73.87 1.47 1.2829 -1 -5 6 73.95 1.57 1.2817 2 -2 9 74.71 1.31 1.2706 1 2 9 75.76 1.06 1.2555 -2 4 5 76.41 3.01 1.2464 2 4 4 76.59 1.24 1.2439 -3 0 9 78.06 1.04 1.2242 1 5 3 78.15 1.43 1.2230 2 5 0 79.02 2.45 1.2117 0 -4 10 79.64 1.52 1.2038 4 0 4 80.99 1.68 1.1872 2 4 5 82.39 1.06 1.1705 -4 0 7 83.32 1.20 1.1598 0 6 0 85.28 1.29 1.1380 0 -3 12 85.36 2.07 1.1372 1 -6 4 85.36 1.27 1.1372 -2 4 7 86.75 1.36 1.1225 -4 0 8 86.95 2.41 1.1204 -1 6 1 87.21 1.02 1.1178 3 0 9 88.08 1.76 1.1090 4 0 6 88.27 2.19 1.1071 1 6 1 89.90 1.42 1.0912 -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.