Rhonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060316 Bonaccorsi E, Merlino S, Pasero M European Journal of Mineralogy 2 (1990) 203-218 Rhonite: structural and microstructural features, crystal chemistry and polysomatic relationships Locality: volcanic breccias of Scharnhausen CELL PARAMETERS: 10.3800 10.7650 8.8820 105.950 96.000 124.830 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Mg 0.00000 0.00000 0.50000 0.700 0.371 Fe 0.00000 0.00000 0.50000 0.300 0.371 Mg 0.00000 0.50000 0.00000 0.650 0.300 Fe 0.00000 0.50000 0.00000 0.350 0.300 Mg 0.31360 0.85310 0.16920 0.590 0.655 Fe 0.31360 0.85310 0.16920 0.410 0.655 Mg 0.77840 0.83020 0.14860 0.630 0.703 Fe 0.77840 0.83020 0.14860 0.370 0.703 Mg 0.09580 0.94110 0.05430 0.740 0.726 Fe 0.09580 0.94110 0.05430 0.260 0.726 Mg 0.59710 0.94530 0.05970 0.660 0.568 Fe 0.59710 0.94530 0.05970 0.340 0.568 Ti 0.99730 0.74360 0.25540 1.000 0.963 Ca 0.20600 0.62790 0.39270 0.970 0.821 Na 0.20600 0.62790 0.39270 0.030 0.821 Ca 0.66140 0.60820 0.37420 0.960 1.003 Na 0.66140 0.60820 0.37420 0.040 1.003 Si 0.47070 0.23250 0.33480 0.500 0.576 Al 0.47070 0.23250 0.33480 0.500 0.576 Si 0.97440 0.23210 0.34540 0.500 0.426 Al 0.97440 0.23210 0.34540 0.500 0.426 Si 0.78330 0.34310 0.23580 0.500 0.411 Al 0.78330 0.34310 0.23580 0.500 0.411 Si 0.27020 0.33830 0.22580 0.500 0.576 Al 0.27020 0.33830 0.22580 0.500 0.576 Si 0.64460 0.94690 0.43520 0.500 0.063 Al 0.64460 0.94690 0.43520 0.500 0.063 Si 0.36190 0.56620 0.05030 0.500 0.197 Al 0.36190 0.56620 0.05030 0.500 0.197 O 0.34590 0.05730 0.16060 1.000 0.750 O 0.84650 0.05900 0.16830 1.000 0.837 O 0.54920 0.96020 0.28320 1.000 1.090 O 0.01970 0.93330 0.26900 1.000 1.224 O 0.23720 0.86810 0.38820 1.000 0.845 O 0.75220 0.87590 0.38010 1.000 1.248 O 0.50300 0.20060 0.50550 1.000 1.058 O 0.95940 0.78690 0.48520 1.000 0.861 O 0.88780 0.32440 0.38120 1.000 0.726 O 0.39000 0.33470 0.36520 1.000 0.963 O 0.65040 0.16630 0.05800 1.000 0.734 O 0.14820 0.16390 0.05590 1.000 0.734 O 0.53990 0.71990 0.03560 1.000 1.405 O 0.06270 0.73060 0.06420 1.000 0.695 O 0.24440 0.61880 0.12040 1.000 0.908 O 0.75050 0.61030 0.13430 1.000 0.821 O 0.40780 0.50620 0.19450 1.000 0.971 O 0.94240 0.51680 0.21740 1.000 1.074 O 0.15430 0.37190 0.31850 1.000 0.884 O 0.66590 0.37920 0.33610 1.000 1.003 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 3.323650758 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.98 13.92 8.0606 0 1 0 10.98 17.22 8.0578 0 0 1 11.01 19.62 8.0392 1 0 0 11.93 9.56 7.4175 0 -1 1 13.87 16.96 6.3867 1 -1 1 17.36 1.24 5.1089 -1 2 0 18.35 19.15 4.8348 -1 -1 1 18.49 34.43 4.7996 0 1 1 20.20 1.36 4.3967 0 -2 1 20.20 1.07 4.3953 0 -1 2 21.14 8.16 4.2021 2 -2 1 21.18 7.93 4.1946 -2 0 1 22.06 2.29 4.0303 0 2 0 22.06 1.98 4.0289 0 0 2 23.52 14.33 3.7821 1 -2 2 23.99 21.27 3.7087 0 -2 2 25.55 1.01 3.4869 2 -3 1 25.60 1.24 3.4798 -2 0 2 25.86 29.99 3.4454 -2 3 0 25.90 30.00 3.4404 -2 1 2 25.92 2.91 3.4370 -3 2 0 26.51 4.64 3.3620 1 1 1 27.33 2.94 3.2635 -3 1 1 27.86 9.06 3.2019 1 0 2 27.94 12.16 3.1934 2 -2 2 27.98 12.17 3.1890 -2 -1 1 28.54 45.06 3.1281 0 2 1 28.54 41.74 3.1276 0 1 2 29.00 1.22 3.0787 3 -2 1 29.13 4.97 3.0651 -1 -2 2 29.87 4.44 2.9913 3 -3 1 30.41 10.20 2.9391 1 2 0 30.42 24.22 2.9380 2 -1 2 30.45 23.97 2.9360 2 1 0 30.45 48.61 2.9352 0 -3 1 30.47 48.68 2.9341 0 -1 3 30.58 18.32 2.9231 -2 3 1 30.60 18.05 2.9214 -2 2 2 31.56 2.78 2.8350 0 -3 2 31.57 3.35 2.8344 0 -2 3 31.77 22.85 2.8162 -3 3 1 32.27 23.97 2.7742 -1 2 2 32.28 43.41 2.7732 3 -1 1 32.95 17.72 2.7181 -3 2 2 33.35 4.64 2.6869 0 3 0 33.36 4.76 2.6859 0 0 3 33.36 65.75 2.6856 2 -4 1 33.40 19.86 2.6829 -1 3 1 33.42 69.09 2.6809 -2 0 3 33.44 26.89 2.6797 3 0 0 33.47 4.67 2.6775 -3 0 2 33.89 7.76 2.6449 1 -1 3 34.94 4.64 2.5679 1 -3 3 35.12 11.39 2.5551 -3 4 0 35.13 16.48 2.5544 -2 4 0 35.18 17.04 2.5511 -2 1 3 35.25 100.00 2.5463 -4 2 0 35.32 81.14 2.5413 2 -4 2 35.38 79.99 2.5368 -2 -1 3 35.59 12.69 2.5225 3 -2 2 35.61 13.58 2.5215 -1 1 3 36.34 9.87 2.4725 0 -3 3 36.43 15.63 2.4662 2 0 2 36.44 15.84 2.4657 2 1 1 37.10 33.73 2.4233 2 -2 3 37.14 33.15 2.4210 -2 -2 1 37.48 5.93 2.3998 0 2 2 37.65 1.81 2.3890 3 -4 2 38.12 4.73 2.3610 -1 -3 1 38.29 8.76 2.3507 -3 1 3 38.63 5.21 2.3310 -4 4 0 38.65 7.72 2.3295 -1 4 0 38.67 4.59 2.3282 -4 2 2 38.71 5.55 2.3260 -3 -1 1 38.76 6.96 2.3229 4 -2 1 38.79 7.66 2.3218 -4 1 0 40.19 1.24 2.2436 -2 4 1 40.23 1.47 2.2419 -2 2 3 40.41 1.50 2.2322 2 -1 3 40.43 1.66 2.2310 2 2 0 40.53 4.24 2.2259 2 -4 3 40.59 4.36 2.2225 -2 -2 3 41.01 2.11 2.2009 -1 -3 3 41.06 3.87 2.1983 0 -4 2 41.07 2.92 2.1976 0 -2 4 41.27 2.03 2.1874 -4 4 1 41.30 1.82 2.1862 -4 3 2 41.50 4.90 2.1760 0 -4 1 41.52 4.90 2.1752 0 -1 4 42.05 5.45 2.1486 3 -5 1 42.46 2.19 2.1289 3 -3 3 42.50 6.10 2.1272 -1 0 4 42.54 1.08 2.1251 -3 -1 3 42.55 2.62 2.1249 4 -3 2 42.60 2.89 2.1221 -4 0 1 42.87 1.16 2.1095 1 -2 4 42.98 75.91 2.1043 2 -5 1 43.05 74.40 2.1012 -2 0 4 43.05 7.87 2.1010 4 -4 2 43.13 7.44 2.0973 -4 0 2 43.32 81.20 2.0887 4 -1 1 43.74 1.61 2.0696 0 -4 3 43.75 1.62 2.0693 0 -3 4 44.09 1.40 2.0540 -5 3 1 44.98 1.45 2.0152 0 4 0 45.00 1.14 2.0144 0 0 4 45.08 3.46 2.0113 4 -2 2 45.11 3.46 2.0098 4 0 0 45.64 16.99 1.9879 -2 5 0 45.69 16.63 1.9856 -2 1 4 45.80 1.93 1.9812 -5 2 0 46.40 3.15 1.9571 2 -3 4 46.44 3.55 1.9553 -2 -3 2 46.50 2.25 1.9528 3 0 2 46.52 6.00 1.9523 4 -5 2 46.57 4.24 1.9502 -3 0 4 46.62 5.88 1.9483 -4 0 3 46.65 2.18 1.9471 2 -5 3 46.72 1.91 1.9442 -2 -2 4 46.74 20.72 1.9435 -4 4 2 46.86 3.82 1.9390 1 -5 1 46.93 2.82 1.9362 -3 -2 2 47.36 1.61 1.9194 3 1 1 47.54 5.38 1.9127 2 -2 4 47.57 4.45 1.9115 -2 -3 1 47.77 4.47 1.9041 0 3 2 47.77 4.59 1.9039 0 2 3 48.39 5.31 1.8808 -4 5 1 48.44 5.50 1.8792 -4 3 3 49.15 1.61 1.8537 5 -5 1 50.20 1.94 1.8172 1 0 4 50.28 2.45 1.8145 4 -1 2 50.30 2.36 1.8140 4 0 1 50.73 3.02 1.7995 5 -4 2 51.27 1.09 1.7820 -5 5 1 51.40 4.34 1.7778 3 -6 2 51.45 2.03 1.7761 3 2 0 51.47 1.13 1.7755 4 -5 3 51.57 1.90 1.7721 -4 -1 3 51.75 4.77 1.7665 3 -4 4 51.80 2.75 1.7649 -1 -1 5 51.82 1.18 1.7642 3 -3 4 52.44 1.44 1.7449 -5 1 3 52.48 5.80 1.7435 2 -5 4 52.49 2.22 1.7434 4 -6 2 52.55 6.97 1.7414 -2 -3 4 52.60 2.11 1.7399 -4 0 4 52.89 1.69 1.7312 -5 3 3 52.98 1.26 1.7284 2 -6 2 53.06 1.33 1.7260 -2 -1 5 53.17 2.27 1.7227 -4 6 0 53.18 5.90 1.7224 0 -5 1 53.20 6.26 1.7217 0 -1 5 53.25 2.27 1.7202 -4 2 4 53.31 1.54 1.7185 -6 4 0 53.33 1.57 1.7177 -6 3 1 53.36 1.31 1.7171 1 4 0 53.83 1.06 1.7031 -1 2 4 53.94 3.82 1.6997 -5 0 2 54.36 2.08 1.6878 -4 5 2 54.38 2.21 1.6871 -4 4 3 54.51 3.62 1.6834 3 -2 4 54.59 2.46 1.6811 2 1 3 54.59 2.26 1.6810 2 2 2 55.11 1.19 1.6666 -5 6 0 55.18 3.43 1.6645 -6 5 0 55.24 3.62 1.6630 -6 3 2 55.78 1.30 1.6480 5 -2 2 56.07 1.26 1.6402 -1 5 1 56.09 1.03 1.6396 -5 0 3 56.31 1.05 1.6338 6 -5 1 56.39 1.25 1.6317 -6 2 2 56.59 5.95 1.6264 -6 5 1 56.62 5.52 1.6256 -6 4 2 56.66 15.17 1.6247 0 -5 4 56.66 15.74 1.6245 0 -4 5 56.85 3.34 1.6195 -3 -1 5 57.04 21.45 1.6145 -2 6 0 57.08 3.33 1.6137 1 -6 2 57.11 20.75 1.6129 -2 1 5 57.14 1.20 1.6121 0 5 0 57.16 4.34 1.6116 -3 -3 3 57.16 1.40 1.6116 0 0 5 57.23 2.35 1.6096 6 -3 1 57.26 2.26 1.6090 -6 2 0 57.30 3.62 1.6078 5 0 0 57.59 2.86 1.6006 5 -5 3 57.61 13.17 1.5999 0 3 3 57.64 26.81 1.5992 4 0 2 58.17 1.04 1.5860 -5 2 4 58.27 1.42 1.5833 -3 -3 1 58.93 1.96 1.5672 2 -2 5 58.96 1.84 1.5665 -2 -4 1 59.08 1.06 1.5636 4 -1 3 59.11 1.11 1.5630 4 1 1 59.43 5.17 1.5553 5 -3 3 59.48 1.40 1.5540 -6 6 0 59.56 1.24 1.5521 -6 3 3 59.57 11.77 1.5520 6 -6 1 59.67 11.39 1.5496 -6 2 3 59.88 1.72 1.5446 6 -5 2 59.98 1.70 1.5424 -6 1 2 61.84 1.43 1.5003 4 -6 4 61.96 1.49 1.4976 -4 -2 4 62.05 49.97 1.4957 6 -6 2 62.17 49.53 1.4930 -6 1 3 62.30 48.16 1.4903 -4 5 3 62.33 3.97 1.4896 -5 -1 1 62.48 2.75 1.4865 3 -7 3 62.61 3.56 1.4837 -2 6 1 62.62 38.02 1.4835 0 -5 5 62.66 3.82 1.4826 -2 2 5 62.74 3.27 1.4809 4 -7 3 62.79 2.52 1.4798 3 -5 5 62.85 3.46 1.4785 -1 -2 6 62.88 3.30 1.4780 -4 -1 5 63.22 2.78 1.4707 -7 4 0 63.26 49.03 1.4699 2 -1 5 63.28 50.85 1.4696 2 4 0 63.47 10.31 1.4656 0 -6 3 63.50 9.98 1.4651 0 -3 6 63.67 3.17 1.4615 -4 6 2 63.71 3.21 1.4607 -4 4 4 63.94 1.93 1.4559 -7 3 1 64.66 3.41 1.4415 3 1 3 65.35 1.22 1.4279 3 2 2 65.50 2.06 1.4250 2 -6 5 65.58 2.10 1.4236 -2 -4 5 65.69 1.57 1.4214 5 -4 4 65.92 2.60 1.4171 -6 7 0 66.02 2.43 1.4151 -6 3 4 66.49 1.33 1.4062 6 -7 2 66.63 1.59 1.4035 -6 1 4 66.80 5.11 1.4004 6 -4 3 66.89 4.89 1.3988 -6 0 1 67.50 1.69 1.3877 4 -5 5 67.60 1.74 1.3858 -4 -3 3 68.11 1.08 1.3767 2 -4 6 68.16 1.36 1.3759 -2 -5 3 68.60 1.22 1.3680 2 -3 6 68.72 1.65 1.3660 -3 -2 6 68.74 1.03 1.3655 0 4 3 68.90 1.69 1.3628 1 -7 3 68.96 1.57 1.3618 7 -3 1 68.99 2.02 1.3613 -3 -4 4 69.60 9.56 1.3508 4 -6 5 69.69 7.29 1.3494 2 0 5 69.70 6.73 1.3492 2 4 1 69.73 8.28 1.3487 -4 -3 4 70.04 1.31 1.3434 4 -3 5 70.11 1.09 1.3422 -4 -3 1 70.16 2.55 1.3414 -2 6 2 70.19 1.01 1.3408 6 -3 3 70.20 2.44 1.3408 -2 3 5 70.63 2.09 1.3336 7 -7 1 71.11 3.61 1.3258 -7 6 2 71.45 7.50 1.3203 -4 -1 6 71.79 2.09 1.3149 -7 5 3 71.90 5.44 1.3131 -4 6 3 71.92 5.52 1.3128 -4 5 4 72.67 1.18 1.3011 2 -7 5 72.74 2.14 1.3000 -1 4 4 73.03 1.03 1.2956 -7 7 1 73.38 2.46 1.2903 -1 5 3 73.80 2.13 1.2839 2 -6 6 73.87 2.51 1.2829 -2 -5 5 73.87 4.66 1.2829 4 -7 5 74.02 5.16 1.2808 -4 -3 5 74.36 2.93 1.2757 -6 3 5 74.37 1.38 1.2755 -4 2 6 74.47 1.03 1.2741 -4 7 2 74.68 1.47 1.2710 -1 3 5 75.40 1.61 1.2607 3 -6 6 75.46 1.72 1.2598 2 2 4 75.46 1.71 1.2598 2 3 3 75.92 1.20 1.2533 6 -7 4 76.09 1.21 1.2509 -6 -1 4 78.01 6.90 1.2249 4 -5 6 78.12 7.38 1.2235 -4 -4 3 79.13 1.42 1.2103 4 -6 6 79.26 1.40 1.2087 -4 -4 4 79.80 1.72 1.2019 2 -7 6 79.88 1.51 1.2008 -2 -5 6 79.95 7.74 1.1999 0 4 4 81.51 1.12 1.1808 2 -3 7 81.54 1.16 1.1805 -2 -6 2 81.98 1.57 1.1753 -6 2 6 83.31 1.10 1.1599 -6 0 6 84.05 1.32 1.1515 0 7 0 84.08 1.73 1.1512 -6 5 5 84.09 1.13 1.1511 0 0 7 86.90 1.89 1.1210 -4 4 6 88.89 1.22 1.1010 -7 2 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.