Lemoynite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080106 Le Page Y, Perrault G The Canadian Mineralogist 14 (1976) 132-138 Structure cristalline de la lemoynite, (Na,K)2CaZr2Si10O26,5-6H2O Note: x-coordinate of Na1 changed. CELL PARAMETERS: 10.3650 15.9180 18.5880 90.000 104.640 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Zr 0.25326 0.24187 0.24647 0.930 0.745 Nb 0.25326 0.24187 0.24647 0.040 0.745 Ti 0.25326 0.24187 0.24647 0.030 0.745 Si 0.70930 0.09670 0.12010 1.000 0.785 Si 0.94620 0.20670 0.13630 1.000 0.840 Si 0.45000 0.29200 0.13520 1.000 0.832 Si 0.21320 0.39770 0.12240 1.000 0.732 Si -0.00070 0.30370 0.00110 1.000 0.760 Ca 0.00000 0.39120 0.25000 0.830 1.123 Fe 0.00000 0.39120 0.25000 0.080 1.123 Zn 0.00000 0.39120 0.25000 0.020 1.123 Cu 0.00000 0.39120 0.25000 0.010 1.123 Mg 0.00000 0.39120 0.25000 0.040 1.123 Na 0.25500 0.08870 0.07670 0.250 6.227 K 0.25500 0.08870 0.07670 0.250 6.227 Na 0.09170 -0.00640 0.19670 0.250 5.909 K 0.09170 -0.00640 0.19670 0.250 5.909 Wa 0.09170 -0.00640 0.19670 0.500 5.909 O 0.87770 0.26570 0.18650 1.000 1.020 O 0.68280 0.13480 0.19490 1.000 1.285 O 0.59810 0.31030 0.18330 1.000 1.347 O 0.36510 0.22680 0.17230 1.000 1.146 O 0.17510 0.35740 0.19330 1.000 0.994 O 0.09710 0.18010 0.17420 1.000 1.206 O 0.85960 0.11850 0.11570 1.000 1.099 O 0.12480 0.35840 0.04530 1.000 1.342 O 0.93400 0.25350 0.05670 1.000 1.536 O 0.61000 0.13280 0.04580 1.000 1.739 O 0.45150 0.26020 0.05240 1.000 1.563 O 0.36780 0.38190 0.12350 1.000 1.102 O 0.69270 -0.00280 0.12040 1.000 1.204 Wa 0.85500 0.43300 0.13390 1.000 6.759 Wa 0.50000 0.04080 0.25000 1.000 3.135 Wa 0.04700 0.03700 0.09400 1.000 4.278 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 14 +/- 16 MAX. ABS. INTENSITY / VOLUME**2: 12.12135377 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.83 / 9.85 77.05 / 38.52 8.9923 0 0 2 10.42 / 10.44 1.21 / 0.60 8.4850 1 1 0 11.11 / 11.14 100.00 / 50.00 7.9590 0 2 0 12.44 / 12.47 3.85 / 1.93 7.1095 1 1 1 12.71 / 12.74 28.87 / 14.43 6.9587 -1 1 2 14.85 / 14.89 16.06 / 8.03 5.9598 0 2 2 15.81 / 15.85 13.04 / 6.52 5.6022 1 1 2 17.93 / 17.98 13.50 / 6.75 4.9429 -2 0 2 18.51 / 18.56 1.44 / 0.72 4.7885 0 2 3 18.91 / 18.95 1.02 / 0.51 4.6900 1 3 0 18.97 / 19.01 1.39 / 0.70 4.6752 -1 3 1 19.73 / 19.78 2.08 / 1.04 4.4961 0 0 4 20.11 / 20.16 1.82 / 0.91 4.4127 1 3 1 20.26 / 20.31 11.96 / 5.98 4.3791 -1 1 4 20.28 / 20.33 18.04 / 9.02 4.3759 -1 3 2 20.44 / 20.49 3.57 / 1.79 4.3418 -2 2 1 21.14 / 21.19 9.98 / 4.99 4.1990 -2 2 2 22.32 / 22.38 4.07 / 2.03 3.9795 0 4 0 22.36 / 22.41 9.88 / 4.94 3.9730 2 0 2 22.70 / 22.75 20.50 / 10.25 3.9147 0 2 4 22.93 / 22.98 1.89 / 0.94 3.8758 -2 2 3 24.28 / 24.35 2.92 / 1.46 3.6620 1 1 4 24.44 / 24.50 11.00 / 5.50 3.6391 0 4 2 25.03 / 25.09 64.34 / 32.17 3.5548 2 2 2 25.58 / 25.65 21.85 / 10.92 3.4793 -2 2 4 25.76 / 25.82 11.70 / 5.85 3.4561 -1 3 4 26.57 / 26.64 5.38 / 2.69 3.3523 -3 1 2 26.87 / 26.94 1.80 / 0.90 3.3155 0 4 3 27.24 / 27.31 3.71 / 1.86 3.2715 3 1 0 28.78 / 28.85 4.09 / 2.05 3.0998 -2 4 2 29.07 / 29.14 6.39 / 3.19 3.0694 1 3 4 29.38 / 29.45 4.23 / 2.11 3.0376 -1 1 6 29.41 / 29.49 7.53 / 3.76 3.0344 1 5 0 29.50 / 29.58 17.03 / 8.51 3.0251 -3 1 4 29.82 / 29.90 1.80 / 0.90 2.9932 2 4 1 29.96 / 30.04 8.22 / 4.11 2.9799 0 4 4 30.61 / 30.69 14.32 / 7.16 2.9180 -2 0 6 31.03 / 31.10 5.85 / 2.92 2.8800 -3 3 2 31.80 / 31.88 16.00 / 8.00 2.8116 2 4 2 31.81 / 31.89 12.77 / 6.38 2.8107 1 5 2 31.92 / 32.00 14.61 / 7.30 2.8011 2 2 4 32.24 / 32.33 15.15 / 7.58 2.7739 -2 4 4 32.66 / 32.74 11.46 / 5.73 2.7397 -2 2 6 33.61 / 33.69 1.17 / 0.59 2.6646 -3 3 4 33.76 / 33.84 4.44 / 2.22 2.6530 0 6 0 34.09 / 34.18 1.35 / 0.68 2.6276 1 5 3 34.13 / 34.22 1.26 / 0.63 2.6246 0 6 1 34.34 / 34.43 5.36 / 2.68 2.6094 -1 5 4 34.60 / 34.69 5.36 / 2.68 2.5903 -4 0 2 35.24 / 35.33 2.00 / 1.00 2.5446 0 6 2 35.79 / 35.88 1.09 / 0.54 2.5071 4 0 0 35.99 / 36.09 1.19 / 0.60 2.4932 2 2 5 36.32 / 36.41 3.49 / 1.75 2.4715 -4 0 4 36.45 / 36.54 4.78 / 2.39 2.4631 -4 2 2 37.57 / 37.67 9.26 / 4.63 2.3918 2 4 4 37.58 / 37.68 1.81 / 0.91 2.3913 4 2 0 38.09 / 38.19 2.90 / 1.45 2.3603 -4 2 4 38.35 / 38.45 6.08 / 3.04 2.3450 2 6 0 38.56 / 38.66 1.15 / 0.58 2.3331 -3 5 2 39.54 / 39.64 2.00 / 1.00 2.2774 -2 0 8 40.08 / 40.18 3.99 / 2.00 2.2481 0 0 8 40.35 / 40.46 5.61 / 2.80 2.2333 2 2 6 40.63 / 40.73 1.55 / 0.78 2.2188 -4 0 6 40.72 / 40.82 1.07 / 0.54 2.2141 -3 5 4 40.87 / 40.97 8.23 / 4.12 2.2063 2 6 2 42.25 / 42.36 1.93 / 0.97 2.1373 -4 2 6 42.58 / 42.70 2.38 / 1.19 2.1212 4 4 0 44.03 / 44.15 1.51 / 0.75 2.0547 -5 1 2 45.10 / 45.22 6.44 / 3.22 2.0086 2 4 6 45.55 / 45.67 3.75 / 1.87 1.9900 5 1 0 45.55 / 45.67 2.71 / 1.36 1.9898 0 8 0 45.63 / 45.75 5.10 / 2.55 1.9866 0 6 6 45.63 / 45.75 2.20 / 1.10 1.9865 4 0 4 45.66 / 45.78 1.56 / 0.78 1.9852 2 6 4 45.87 / 45.99 4.94 / 2.47 1.9766 -2 4 8 46.72 / 46.84 2.05 / 1.02 1.9428 0 8 2 46.84 / 46.96 1.32 / 0.66 1.9379 -4 4 6 46.93 / 47.06 4.09 / 2.05 1.9343 -4 0 8 47.11 / 47.24 3.14 / 1.57 1.9274 4 2 4 48.39 / 48.51 2.99 / 1.50 1.8796 -4 2 8 49.00 / 49.13 1.34 / 0.67 1.8575 -2 8 1 49.11 / 49.25 3.62 / 1.81 1.8534 -4 6 2 49.23 / 49.36 3.80 / 1.90 1.8495 2 8 0 49.33 / 49.46 1.33 / 0.67 1.8458 -2 8 2 50.01 / 50.15 2.79 / 1.39 1.8222 4 6 0 50.09 / 50.22 1.18 / 0.59 1.8195 0 8 4 51.36 / 51.50 3.05 / 1.52 1.7774 4 4 4 52.09 / 52.23 2.69 / 1.34 1.7542 0 2 10 52.24 / 52.37 1.43 / 0.71 1.7498 -1 3 10 52.25 / 52.39 2.41 / 1.20 1.7493 2 6 6 52.66 / 52.80 1.16 / 0.58 1.7366 -5 5 2 52.94 / 53.08 3.14 / 1.57 1.7280 -2 6 8 53.10 / 53.24 1.13 / 0.57 1.7234 -6 0 2 53.18 / 53.32 3.38 / 1.69 1.7209 4 0 6 53.23 / 53.38 1.57 / 0.78 1.7193 -5 1 8 53.37 / 53.52 2.53 / 1.27 1.7151 0 6 8 53.82 / 53.96 2.34 / 1.17 1.7020 -4 6 6 54.02 / 54.16 1.16 / 0.58 1.6962 1 9 2 54.21 / 54.36 2.49 / 1.24 1.6905 3 5 6 54.23 / 54.37 1.24 / 0.62 1.6901 -3 3 10 54.31 / 54.46 1.99 / 0.99 1.6877 1 1 10 54.72 / 54.86 1.12 / 0.56 1.6761 -6 2 4 54.73 / 54.87 2.43 / 1.21 1.6759 -2 4 10 54.73 / 54.88 2.29 / 1.15 1.6756 -4 0 10 55.38 / 55.53 2.60 / 1.30 1.6577 0 8 6 55.55 / 55.70 1.41 / 0.71 1.6530 3 7 4 56.07 / 56.22 1.01 / 0.51 1.6389 0 4 10 56.19 / 56.34 1.42 / 0.71 1.6357 6 2 0 57.03 / 57.19 3.85 / 1.92 1.6134 -6 2 6 57.95 / 58.11 1.08 / 0.54 1.5901 4 6 4 58.37 / 58.53 1.00 / 0.50 1.5795 4 4 6 58.44 / 58.60 2.50 / 1.25 1.5779 -4 8 2 59.36 / 59.52 2.80 / 1.40 1.5556 -3 5 10 59.84 / 60.00 1.21 / 0.60 1.5443 -4 4 10 59.87 / 60.04 3.83 / 1.91 1.5435 6 2 2 59.98 / 60.15 1.83 / 0.91 1.5410 6 4 0 60.22 / 60.38 1.29 / 0.64 1.5355 -1 9 6 60.25 / 60.42 1.06 / 0.53 1.5347 2 6 8 60.39 / 60.55 2.59 / 1.29 1.5316 -5 7 2 60.79 / 60.96 2.64 / 1.32 1.5223 -6 4 6 60.95 / 61.12 1.45 / 0.73 1.5188 -2 2 12 61.23 / 61.40 1.09 / 0.55 1.5126 -6 2 8 61.77 / 61.94 2.50 / 1.25 1.5005 0 10 4 61.87 / 62.04 1.72 / 0.86 1.4984 -2 8 8 61.97 / 62.14 2.48 / 1.24 1.4963 4 0 8 62.32 / 62.49 1.56 / 0.78 1.4886 0 6 10 62.66 / 62.84 1.62 / 0.81 1.4813 -4 8 6 62.84 / 63.01 1.03 / 0.52 1.4776 2 10 2 63.10 / 63.28 1.33 / 0.66 1.4721 -2 10 4 63.18 / 63.35 1.83 / 0.92 1.4705 4 2 8 63.53 / 63.71 3.06 / 1.53 1.4632 6 4 2 63.73 / 63.91 1.35 / 0.67 1.4590 -4 0 12 64.49 / 64.67 1.01 / 0.50 1.4438 4 6 6 64.57 / 64.75 1.35 / 0.67 1.4421 -2 4 12 64.68 / 64.86 1.06 / 0.53 1.4400 -6 6 4 66.47 / 66.66 1.59 / 0.79 1.4054 2 10 4 66.62 / 66.81 1.21 / 0.60 1.4025 0 4 12 66.73 / 66.92 1.25 / 0.63 1.4006 4 4 8 68.59 / 68.78 1.37 / 0.69 1.3671 2 8 8 70.98 / 71.18 1.11 / 0.56 1.3268 2 2 12 72.06 / 72.26 1.74 / 0.87 1.3096 -2 2 14 72.45 / 72.66 1.79 / 0.90 1.3035 4 10 2 72.75 / 72.96 1.72 / 0.86 1.2989 -6 8 4 72.99 / 73.20 1.18 / 0.59 1.2952 -8 0 4 73.10 / 73.32 2.67 / 1.34 1.2934 -4 10 6 73.83 / 74.05 1.24 / 0.62 1.2824 2 12 0 74.35 / 74.57 1.29 / 0.65 1.2747 2 4 12 75.41 / 75.63 1.06 / 0.53 1.2595 -2 4 14 82.65 / 82.90 1.28 / 0.64 1.1666 -6 10 4 83.41 / 83.66 1.00 / 0.50 1.1578 -8 6 2 86.52 / 86.78 1.26 / 0.63 1.1240 0 0 16 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.