Sonolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070752 Kato T, Ito Y, Hashimoto N Neues Jahrbuch fur Mineralogie, Monatshefte 1989 (1989) 410-430 The crystal structures of sonolite and jerrygibbsite Locality: Hokkejino mine, Kyoto Prefecture, Honshu, Japan _database_code_amcsd 0014839 CELL PARAMETERS: 4.8710 10.6720 14.3070 100.690 90.000 90.000 SPACE GROUP: P2_1/b ATOM X Y Z OCCUPANCY ISO(B) Mn 0.50000 0.00000 0.50000 0.864 1.040 Mg 0.50000 0.00000 0.50000 0.080 1.040 Ca 0.50000 0.00000 0.50000 0.050 1.040 Fe 0.50000 0.00000 0.50000 0.006 1.040 Mn 0.49530 0.94730 0.27330 0.884 0.860 Mg 0.49530 0.94730 0.27330 0.060 0.860 Ca 0.49530 0.94730 0.27330 0.050 0.860 Fe 0.49530 0.94730 0.27330 0.006 0.860 Mn 0.00910 0.13930 0.17170 0.884 0.800 Mg 0.00910 0.13930 0.17170 0.060 0.800 Ca 0.00910 0.13930 0.17170 0.050 0.800 Fe 0.00910 0.13930 0.17170 0.006 0.800 Mn 0.51280 0.25370 0.38800 0.874 0.720 Mg 0.51280 0.25370 0.38800 0.070 0.720 Ca 0.51280 0.25370 0.38800 0.050 0.720 Fe 0.51280 0.25370 0.38800 0.006 0.720 Mn 0.48600 0.87380 0.04160 0.743 1.170 Mg 0.48600 0.87380 0.04160 0.210 1.170 Ca 0.48600 0.87380 0.04160 0.042 1.170 Fe 0.48600 0.87380 0.04160 0.005 1.170 Si 0.07400 0.06730 0.38970 1.000 0.490 Si 0.07750 0.17510 0.83590 1.000 0.460 O 0.74170 0.06350 0.38800 1.000 0.740 O 0.28370 0.42640 0.38750 1.000 0.500 O 0.21200 0.11410 0.29730 1.000 0.630 O 0.21380 0.15630 0.48240 1.000 0.700 O 0.24680 0.32390 0.16230 1.000 0.810 O 0.78140 0.96390 0.16220 1.000 0.890 O 0.71510 0.28180 0.25800 1.000 0.710 O 0.72060 0.23190 0.07320 1.000 0.690 OH 0.25760 0.04400 0.05320 1.000 1.200 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 9 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 9.760644856 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.29 7.09 14.0587 0 0 1 12.59 2.93 7.0294 0 0 2 16.91 1.47 5.2434 0 2 0 16.92 15.23 5.2415 0 -2 1 18.94 1.46 4.6862 0 0 3 19.13 2.91 4.6391 0 2 1 19.15 5.92 4.6351 0 -2 2 20.10 9.58 4.4177 1 1 0 20.60 1.04 4.3120 1 -1 1 21.55 1.38 4.1234 1 1 1 22.20 8.81 4.0037 1 0 2 22.92 9.75 3.8794 1 -1 2 22.96 5.87 3.8727 0 2 2 22.99 4.75 3.8688 0 -2 3 24.62 63.54 3.6153 1 1 2 24.95 6.42 3.5687 1 2 0 24.96 4.66 3.5681 1 -2 1 25.34 3.92 3.5147 0 0 4 26.39 1.79 3.3771 1 0 3 26.53 1.96 3.3593 1 2 1 26.63 45.28 3.3478 1 -1 3 28.84 1.84 3.0960 1 1 3 29.47 1.13 3.0314 1 2 2 29.48 4.57 3.0295 1 -2 3 31.18 100.00 2.8689 1 -3 1 31.26 34.14 2.8615 1 -1 4 31.50 30.57 2.8400 1 3 0 31.83 8.36 2.8117 0 0 5 32.17 1.97 2.7829 1 -3 2 33.11 30.98 2.7057 1 3 1 33.22 25.68 2.6972 0 2 4 33.25 22.89 2.6949 0 -2 5 33.59 14.92 2.6680 0 -4 1 33.81 74.75 2.6513 1 1 4 34.37 64.01 2.6093 1 -3 3 35.84 32.28 2.5053 1 3 2 35.99 10.88 2.4952 0 4 1 36.02 11.14 2.4935 0 -4 3 36.51 50.53 2.4607 1 -1 5 36.91 18.12 2.4355 2 0 0 37.93 11.27 2.3724 2 1 0 38.14 13.56 2.3596 1 2 4 38.17 15.29 2.3580 1 -2 5 38.47 20.64 2.3400 1 -4 1 38.86 1.94 2.3176 0 -4 4 39.30 4.94 2.2923 1 1 5 39.50 8.60 2.2812 1 3 3 39.58 2.61 2.2769 2 -1 2 40.64 4.95 2.2198 2 1 2 41.66 3.35 2.1681 1 -3 5 41.96 1.91 2.1533 2 -1 3 42.22 1.22 2.1404 1 -1 6 42.52 1.11 2.1261 0 4 3 42.56 3.93 2.1241 0 -4 5 43.92 2.84 2.0617 2 2 2 43.93 1.67 2.0611 2 -2 3 45.20 3.60 2.0061 1 1 6 46.48 2.61 1.9538 1 -5 1 46.72 1.10 1.9442 1 -5 2 47.90 2.99 1.8991 1 -5 3 48.29 9.81 1.8846 1 -1 7 48.80 5.64 1.8663 1 5 1 49.14 2.10 1.8542 1 2 6 49.17 1.54 1.8531 1 -2 7 49.51 2.99 1.8409 2 0 5 49.96 1.35 1.8254 1 -5 4 50.49 58.52 1.8076 2 2 4 50.51 56.90 1.8069 2 -2 5 50.76 42.05 1.7987 2 -4 1 51.43 5.43 1.7768 1 1 7 51.63 4.20 1.7704 1 -3 7 51.97 1.06 1.7597 0 -4 7 52.50 9.58 1.7429 2 4 1 52.52 7.84 1.7423 2 -4 3 52.83 2.56 1.7328 1 -5 5 54.06 10.42 1.6963 0 6 1 54.09 8.24 1.6954 0 -6 4 54.39 13.26 1.6869 1 3 6 54.50 11.62 1.6837 1 5 3 54.67 1.63 1.6789 2 -4 4 56.43 10.06 1.6305 1 -5 6 57.35 8.33 1.6066 1 -3 8 57.40 6.99 1.6053 0 4 6 57.43 4.23 1.6045 3 1 0 57.46 5.04 1.6038 0 -4 8 57.54 1.31 1.6017 2 4 3 57.58 4.44 1.6008 2 -4 5 57.64 1.82 1.5993 3 -1 1 57.98 1.91 1.5908 1 1 8 58.40 1.85 1.5803 0 2 8 58.43 2.34 1.5794 0 -2 9 58.65 3.14 1.5740 3 -1 2 59.00 1.01 1.5656 2 -1 7 59.14 32.01 1.5621 0 0 9 59.44 1.94 1.5550 2 5 1 59.45 5.97 1.5548 3 1 2 59.61 1.14 1.5510 3 -2 1 59.81 21.16 1.5464 0 6 3 59.86 21.48 1.5450 0 -6 6 60.45 2.75 1.5314 3 -1 3 61.98 1.06 1.4972 3 -2 3 62.95 6.31 1.4766 3 -3 1 63.00 2.26 1.4755 3 -1 4 63.14 1.44 1.4726 3 3 0 63.50 5.41 1.4651 1 -3 9 64.02 19.24 1.4544 1 -7 2 64.10 2.20 1.4528 3 3 1 64.20 1.94 1.4507 1 -7 1 64.52 5.21 1.4442 3 1 4 64.60 1.44 1.4428 1 -7 3 64.87 5.60 1.4373 3 -3 3 65.80 2.81 1.4192 3 3 2 66.24 4.51 1.4109 3 -1 5 66.67 6.62 1.4028 1 3 8 67.26 2.89 1.3920 2 6 1 67.29 1.48 1.3914 2 -6 4 67.31 6.71 1.3911 3 2 4 67.33 5.90 1.3907 3 -2 5 67.53 3.40 1.3870 3 -4 1 68.07 2.29 1.3774 1 5 6 68.23 2.48 1.3745 0 6 5 68.31 2.73 1.3731 0 -6 8 69.01 1.31 1.3609 3 4 1 69.03 2.09 1.3606 3 -4 3 69.73 1.44 1.3486 0 4 8 69.80 1.46 1.3474 0 -4 10 70.06 4.41 1.3430 1 -3 10 70.22 1.72 1.3404 2 4 6 70.28 1.82 1.3395 2 -4 8 71.79 6.03 1.3149 2 0 9 72.39 2.91 1.3055 2 6 3 72.44 2.66 1.3047 2 -6 6 73.46 1.07 1.2891 1 3 9 73.72 1.81 1.2852 1 5 7 74.05 1.09 1.2802 2 1 9 74.66 1.28 1.2713 3 -1 7 76.33 1.01 1.2476 0 8 2 76.83 1.16 1.2407 1 -5 10 77.13 1.58 1.2366 3 1 7 78.27 1.23 1.2215 3 -5 5 78.55 6.95 1.2177 4 0 0 79.54 2.44 1.2051 3 3 6 79.63 4.68 1.2039 3 5 3 80.71 1.22 1.1906 1 3 10 81.20 1.10 1.1847 2 7 3 81.25 4.22 1.1840 3 -5 6 81.60 5.07 1.1798 2 4 8 81.67 4.90 1.1790 2 -4 10 82.02 1.93 1.1748 3 -3 8 82.43 3.12 1.1700 2 -8 2 82.56 1.28 1.1685 3 1 8 83.74 1.83 1.1550 1 -1 12 83.81 1.54 1.1543 2 8 0 83.84 1.43 1.1539 2 -8 4 84.59 2.54 1.1456 1 -3 12 84.96 1.77 1.1416 3 4 6 85.01 1.15 1.1410 3 -4 8 87.01 1.04 1.1199 4 -1 5 87.39 1.49 1.1159 3 -3 9 87.86 5.71 1.1112 3 -7 2 87.99 3.76 1.1099 4 2 4 88.01 3.65 1.1097 4 -2 5 88.20 3.33 1.1078 4 -4 1 88.38 1.24 1.1060 1 -7 10 88.50 2.50 1.1048 1 3 11 88.89 1.29 1.1010 1 -9 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.