Epistolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070396 Sokolova E V, Hawthorne F C The Canadian Mineralogist 42 (2004) 797-806 The crystal chemistry of epistolite CELL PARAMETERS: 5.4440 7.1680 12.0530 103.790 95.890 90.020 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Nb 0.70330 0.60465 0.25966 0.960 0.608 Nb 0.70000 0.79900 0.25680 0.100 3.948 Fe 0.70330 0.60465 0.25966 0.020 0.608 Ti 0.70330 0.60465 0.25966 0.020 0.608 Ti 0.00000 0.00000 0.00000 1.000 1.382 Na 0.50060 0.24400 0.00000 1.000 1.405 Na 0.00000 0.50000 0.00000 0.920 1.816 Na 0.28530 -0.11720 -0.29750 0.435 2.053 Ca 0.28530 -0.11720 -0.29750 0.135 2.053 Mn 0.28530 -0.11720 -0.29750 0.020 2.053 Si -0.19540 0.11520 -0.23680 1.000 0.805 Si 0.44700 0.00300 0.27400 0.100 3.948 Si 0.19470 0.30640 0.23640 1.000 0.837 Si 0.18100 0.49000 0.23600 0.100 3.948 O 0.45300 0.42060 0.27880 1.000 1.666 O 0.45460 0.80900 0.28120 1.000 2.132 O 0.20840 0.11650 0.28960 1.000 1.382 O 0.15970 -0.15890 0.09840 1.000 1.224 O -0.03750 0.42280 0.28610 1.000 1.666 O 0.15860 0.23800 0.09710 1.000 1.319 O 0.03160 0.19330 -0.28970 1.000 1.974 OH 0.27500 -0.03710 -0.09280 1.000 0.813 O 0.68440 0.54360 0.10790 1.000 1.453 Wa 0.73600 0.67990 0.46190 1.000 3.395 Wa 0.25500 -0.26300 -0.48250 1.000 7.185 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 6 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 13.58012045 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.60 58.33 11.6399 0 0 1 12.72 10.34 6.9591 0 1 0 13.17 1.50 6.7249 0 -1 1 15.22 100.00 5.8200 0 0 2 16.33 34.48 5.4275 0 1 1 17.32 1.56 5.1200 -1 0 1 17.36 21.34 5.1073 0 -1 2 18.79 14.65 4.7214 1 0 1 20.53 33.79 4.3271 -1 1 0 20.69 40.91 4.2937 -1 -1 1 21.05 1.85 4.2207 1 1 0 21.20 7.46 4.1910 -1 0 2 21.44 4.04 4.1441 1 -1 1 22.14 5.99 4.0159 0 1 2 22.38 13.50 3.9731 -1 1 1 22.92 10.14 3.8800 0 0 3 23.04 7.91 3.8602 -1 -1 2 23.42 8.27 3.7981 0 -1 3 24.01 14.44 3.7065 1 1 1 24.84 8.51 3.5850 1 -1 2 24.89 8.19 3.5773 0 -2 1 26.45 9.04 3.3700 -1 1 2 26.51 2.13 3.3624 0 -2 2 27.45 8.92 3.2489 -1 -1 3 28.82 4.64 3.0978 1 1 2 29.85 2.76 2.9930 -1 -2 1 29.92 3.83 2.9860 1 -1 3 30.02 1.49 2.9762 1 -2 1 30.11 1.13 2.9680 0 -2 3 30.17 18.82 2.9619 -1 2 0 30.32 3.09 2.9479 0 -1 4 30.72 56.36 2.9100 0 0 4 30.79 9.87 2.9039 -1 -2 2 30.90 33.36 2.8934 1 2 0 31.84 38.92 2.8110 1 -2 2 33.10 11.02 2.7067 2 0 0 33.18 19.82 2.7001 -2 0 1 33.57 3.92 2.6698 -1 -2 3 33.78 14.36 2.6536 1 2 1 34.79 4.38 2.5787 1 1 3 34.81 1.34 2.5770 2 0 1 35.05 15.19 2.5600 -2 0 2 35.34 5.67 2.5401 1 -2 3 35.91 1.40 2.5010 2 1 0 35.98 9.00 2.4963 -1 2 2 36.07 3.96 2.4902 1 -1 4 36.20 1.91 2.4814 0 1 4 37.68 3.01 2.3873 0 -3 1 37.83 6.80 2.3785 -1 -2 4 38.12 2.13 2.3607 2 0 2 38.37 3.79 2.3457 -1 1 4 38.49 2.68 2.3390 -2 0 3 38.68 6.46 2.3280 0 0 5 38.68 1.20 2.3279 0 2 3 39.73 5.10 2.2687 -1 -1 5 41.72 4.91 2.1649 -2 -2 1 41.75 1.77 2.1635 -2 2 0 41.98 7.87 2.1522 2 -2 1 42.09 5.50 2.1469 -2 -2 2 42.70 6.40 2.1173 2 0 3 42.91 1.32 2.1076 1 -1 5 43.01 1.31 2.1029 -2 2 1 43.14 1.49 2.0969 -2 -1 4 43.69 2.54 2.0720 0 -3 4 43.87 2.09 2.0639 0 1 5 43.93 1.85 2.0610 1 0 5 44.15 1.21 2.0513 -1 3 1 45.39 2.96 1.9981 2 2 1 45.43 2.33 1.9966 0 -1 6 45.43 1.31 1.9965 0 3 2 45.59 1.27 1.9899 1 3 1 45.67 1.08 1.9865 -2 2 2 45.93 2.11 1.9760 1 -2 5 46.73 2.25 1.9437 2 -2 3 46.83 4.95 1.9400 0 0 6 46.86 1.65 1.9389 -1 2 4 47.08 1.45 1.9301 -2 -2 4 47.82 1.93 1.9022 1 -3 4 47.90 1.11 1.8990 0 -2 6 48.12 2.71 1.8909 -1 0 6 48.79 1.91 1.8666 1 1 5 48.83 7.00 1.8652 -2 0 5 49.58 1.25 1.8387 1 3 2 49.80 9.67 1.8309 1 2 4 50.44 1.13 1.8092 0 3 3 50.88 2.74 1.7946 2 -3 1 51.06 9.84 1.7887 0 -4 2 51.14 5.59 1.7862 -2 -3 1 51.20 5.29 1.7843 0 -4 1 51.20 3.73 1.7841 -2 3 0 51.85 2.47 1.7634 2 -3 2 51.99 2.11 1.7589 -3 -1 1 52.02 2.89 1.7581 -2 -3 3 52.03 2.42 1.7577 -3 1 0 52.10 1.00 1.7553 3 0 1 52.44 1.48 1.7448 2 1 4 52.47 8.13 1.7439 1 -2 6 52.79 1.13 1.7340 -2 3 1 52.96 2.53 1.7291 -1 1 6 53.50 2.58 1.7127 -1 2 5 53.67 1.41 1.7077 2 -1 5 53.84 2.55 1.7028 -3 1 2 53.98 1.98 1.6986 2 2 3 54.30 2.26 1.6896 -3 -1 3 54.45 3.28 1.6850 -2 2 4 54.51 1.93 1.6834 -1 -1 7 54.71 1.73 1.6779 3 1 1 55.23 1.61 1.6632 3 -1 2 55.24 1.93 1.6628 0 0 7 55.26 3.62 1.6622 -2 0 6 55.30 1.00 1.6612 2 3 1 56.14 1.22 1.6384 2 -2 5 56.32 4.52 1.6335 -1 -2 7 56.54 1.35 1.6276 1 1 6 56.66 3.28 1.6244 -2 -2 6 56.87 5.56 1.6190 -3 2 0 57.02 7.17 1.6151 -3 -2 1 57.04 2.41 1.6146 -3 -2 2 57.33 3.73 1.6072 3 -2 1 57.78 1.99 1.5958 -2 -3 5 58.09 2.09 1.5880 0 -4 5 58.13 1.14 1.5868 1 -1 7 58.94 3.28 1.5670 0 4 2 60.20 1.20 1.5371 0 -3 7 60.78 4.19 1.5240 -1 2 6 61.70 3.51 1.5033 2 0 6 61.78 1.55 1.5016 2 -3 5 62.18 1.51 1.4930 2 -2 6 62.40 1.89 1.4881 2 -4 2 62.52 4.14 1.4857 -2 -4 3 62.53 1.10 1.4854 -3 2 3 62.59 1.37 1.4840 0 -4 6 62.65 1.11 1.4829 -2 -4 1 62.74 3.61 1.4809 -2 4 0 62.92 1.01 1.4770 3 -1 4 62.98 1.65 1.4758 0 3 5 63.83 2.60 1.4582 -1 -2 8 63.84 2.14 1.4581 2 3 3 63.99 2.87 1.4550 0 0 8 64.03 2.06 1.4542 -3 -2 5 64.30 1.25 1.4488 -2 3 4 65.51 1.03 1.4249 3 -2 4 66.20 1.62 1.4117 2 2 5 66.53 1.79 1.4055 2 -4 4 66.56 1.38 1.4049 -3 2 4 67.22 1.85 1.3927 2 4 1 67.89 2.49 1.3806 1 -5 1 67.90 2.18 1.3805 -1 -5 3 68.28 1.55 1.3736 3 2 3 68.38 1.18 1.3720 1 -5 3 68.40 1.64 1.3715 -1 -5 1 69.01 3.23 1.3609 -4 0 1 69.39 2.13 1.3544 2 0 7 69.45 1.52 1.3534 4 0 0 70.95 3.74 1.3283 4 0 1 71.34 2.95 1.3221 -4 0 3 73.07 1.16 1.2950 3 1 5 75.23 2.26 1.2631 -2 -4 7 76.29 1.74 1.2482 -2 4 4 76.58 1.07 1.2441 -2 3 6 77.79 1.24 1.2278 -4 0 5 81.56 1.45 1.1803 4 0 4 81.88 1.03 1.1765 1 5 3 87.02 1.01 1.1197 4 0 5 88.12 1.89 1.1086 -4 0 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.