Varennesite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R110194 Grice J D, Gault R A The Canadian Mineralogist 33 (1995) 1073-1081 Varennesite, a new species of hydrated Na-Mn silicate with a unique monophyllosilicate structure _database_code_amcsd 0005463 CELL PARAMETERS: 13.4930 14.5790 17.3430 90.000 90.000 90.000 SPACE GROUP: Cmcm ATOM X Y Z OCCUPANCY ISO(B) Na 0.50000 0.04800 0.33720 1.000 0.095 Na 0.74190 0.04380 0.33850 1.000 0.158 Na 0.86890 0.00000 0.50000 1.000 0.245 Mn 0.62160 0.00000 0.50000 1.000 0.079 Si 0.38610 0.12230 0.75000 1.000 0.055 Si 0.28190 0.16370 0.59430 1.000 0.055 Si 0.11350 0.29240 0.55220 1.000 0.047 O 0.50000 0.15960 0.75000 1.000 0.103 O 0.37880 0.01740 0.75000 1.000 0.111 O 0.33260 0.17150 0.82200 1.000 0.111 O 0.17930 0.22220 0.60210 1.000 0.118 O 0.14590 0.27920 0.46330 1.000 0.071 O 0.26760 0.06500 0.56550 1.000 0.095 O 0.50000 0.24590 0.44080 1.000 0.079 O 0.12620 0.39270 0.57880 1.000 0.087 OH 0.50000 0.05240 0.56050 1.000 0.166 O 0.26790 0.17290 0.25000 1.000 0.332 O 0.50000 0.17580 0.25000 1.000 0.466 O 0.88780 0.11430 0.39850 1.000 0.324 O 0.00000 0.06650 0.57660 1.000 0.237 O 0.90570 -0.03220 0.25000 1.000 0.071 O 0.00000 0.15180 0.25000 1.000 0.490 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 13 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 13.92257538 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.93 100.00 9.9027 1 1 0 10.20 52.02 8.6715 0 0 2 10.29 1.55 8.5996 1 1 1 12.14 2.45 7.2895 0 2 0 13.12 12.06 6.7465 2 0 0 13.17 2.81 6.7200 0 2 1 13.57 1.32 6.5238 1 1 2 17.77 17.88 4.9925 1 1 3 17.91 1.58 4.9513 2 2 0 18.64 2.82 4.7611 2 2 1 19.41 3.08 4.5722 1 3 0 20.08 1.39 4.4211 1 3 1 20.48 2.00 4.3358 0 0 4 20.67 9.08 4.2978 3 1 0 21.30 3.20 4.1716 3 1 1 22.38 4.71 3.9717 1 1 4 23.10 1.28 3.8508 3 1 2 23.66 11.62 3.7606 2 2 3 23.88 3.81 3.7264 0 2 4 24.40 7.52 3.6475 2 0 4 24.42 2.69 3.6448 0 4 0 24.96 2.48 3.5668 0 4 1 26.42 2.33 3.3733 4 0 0 26.53 11.83 3.3600 0 4 2 27.01 4.84 3.3009 3 3 0 27.24 1.22 3.2736 1 1 5 27.51 1.75 3.2427 3 3 1 28.30 5.54 3.1533 2 4 1 28.39 8.47 3.1438 4 0 2 28.50 1.42 3.1321 0 2 5 28.96 1.02 3.0831 0 4 3 29.26 1.53 3.0523 3 1 4 30.94 5.02 2.8905 0 0 6 31.39 4.11 2.8500 1 5 0 31.82 6.71 2.8123 1 5 1 31.91 4.38 2.8042 2 4 3 32.08 5.34 2.7899 0 4 4 32.40 3.04 2.7634 1 3 5 33.09 3.61 2.7075 1 5 2 33.11 36.03 2.7054 4 2 3 33.35 7.56 2.6870 0 2 6 33.66 9.74 2.6624 4 0 4 35.73 12.83 2.5126 0 4 5 35.91 11.11 2.5008 4 2 4 35.98 1.15 2.4963 2 2 6 36.29 1.03 2.4757 4 4 0 36.79 2.49 2.4432 1 3 6 37.00 1.22 2.4298 0 6 0 37.29 1.73 2.4116 5 1 3 37.79 5.14 2.3806 4 4 2 39.25 2.44 2.2952 4 2 5 39.80 7.00 2.2647 0 4 6 39.83 3.61 2.2633 5 1 4 40.26 1.64 2.2400 0 6 3 42.03 8.71 2.1499 4 4 4 42.05 1.57 2.1489 6 2 0 42.65 2.73 2.1197 0 6 4 43.56 1.81 2.0779 0 2 8 44.99 1.93 2.0151 4 4 5 45.79 1.04 1.9815 3 3 7 46.35 1.27 1.9590 4 6 1 47.07 3.22 1.9308 5 5 2 47.28 2.08 1.9225 4 6 2 48.76 1.02 1.8675 3 5 6 50.01 1.43 1.8237 4 0 8 50.29 2.34 1.8144 7 1 3 50.36 1.70 1.8120 3 3 8 50.88 1.72 1.7947 4 6 4 51.67 9.66 1.7692 4 2 8 52.77 1.00 1.7348 0 6 7 53.46 3.05 1.7140 4 6 5 54.40 5.54 1.6866 8 0 0 54.63 1.27 1.6800 0 8 4 55.96 1.69 1.6432 8 2 0 56.42 1.54 1.6309 4 4 8 56.42 3.52 1.6308 4 2 9 56.50 3.31 1.6288 4 6 6 56.92 1.99 1.6176 0 6 8 57.48 4.13 1.6034 4 8 0 57.75 1.12 1.5965 4 8 1 61.45 3.44 1.5090 4 2 10 61.49 1.20 1.5079 1 9 4 61.52 1.28 1.5074 8 4 2 62.25 1.53 1.4914 9 1 0 64.47 1.94 1.4453 0 0 12 64.85 1.28 1.4378 3 9 4 65.32 1.21 1.4285 8 2 6 65.89 1.77 1.4177 0 2 12 66.10 1.22 1.4136 0 10 3 66.80 1.64 1.4004 8 4 5 66.97 2.07 1.3974 5 3 10 67.10 1.65 1.3950 0 8 8 67.43 2.49 1.3889 5 9 0 69.49 2.39 1.3527 8 4 6 70.35 4.24 1.3383 4 10 0 71.21 1.25 1.3241 9 3 5 71.31 1.38 1.3226 4 10 2 71.48 1.10 1.3198 8 6 4 73.82 2.42 1.2836 9 3 6 74.22 2.05 1.2777 9 1 7 75.96 1.03 1.2528 0 4 13 82.65 1.36 1.1675 8 6 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.