Jerrygibbsite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100042 Kato T, Ito Y, Hashimoto N Neues Jahrbuch fur Mineralogie, Monatshefte 1989 (1989) 410-430 The crystal structures of sonolite and jerrygibbsite Locality: Franklin, New Jersey Note: O12 z-coordinate changed to reproduce reported bond lengths CELL PARAMETERS: 4.8757 10.8100 28.4420 90.000 90.000 90.000 SPACE GROUP: Pbn2_1 ATOM X Y Z OCCUPANCY ISO(B) Mn -0.00200 0.38040 0.25000 1.000 0.630 Mn -0.00030 0.37250 0.13700 1.000 0.690 Mn -0.00390 0.36580 0.36190 1.000 0.620 Mn 0.01570 0.09760 0.08170 1.000 0.860 Mn 0.00130 0.64940 0.40870 1.000 0.840 Mn -0.01130 0.65670 0.19270 1.000 0.640 Mn 0.00910 0.09100 0.30100 1.000 0.810 Mn -0.01870 0.37220 0.02020 1.000 0.920 Mn -0.00630 0.35780 0.47820 1.000 0.760 Si 0.07480 0.96810 0.19420 1.000 0.660 Si -0.06470 0.78120 0.30160 1.000 0.730 Si 0.08470 0.96180 0.41710 1.000 0.940 Si -0.07950 0.77730 0.08060 1.000 0.840 O 0.74350 0.96730 0.19490 1.000 1.140 O 0.26300 0.77240 0.30260 1.000 1.450 O 0.20820 0.82160 0.19740 1.000 0.290 O 0.79510 0.91770 0.30300 1.000 0.950 O 0.22800 0.04140 0.14340 1.000 2.130 O 0.78600 0.70310 0.34940 1.000 0.950 O 0.22020 0.03710 0.23380 1.000 0.630 O 0.78160 0.71890 0.25290 1.000 1.730 O 0.26560 0.80390 0.08140 1.000 2.280 O 0.76850 0.97180 0.42070 1.000 0.890 O 0.77280 0.92280 0.07880 1.000 0.830 O 0.24120 0.80980 0.41990 1.000 1.550 O 0.78350 0.70970 0.12740 1.000 1.290 O 0.22560 0.03670 0.36820 1.000 2.260 O 0.79490 0.72250 0.03790 1.000 0.840 O 0.22880 0.03080 0.46740 1.000 1.030 OH 0.77050 0.97300 0.51890 1.000 2.030 OH 0.76150 0.22550 0.47040 1.000 2.770 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 9 +/- 26 MAX. ABS. INTENSITY / VOLUME**2: 11.98295105 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.22 3.87 14.2210 0 0 2 16.70 9.72 5.3100 0 2 1 18.46 1.10 4.8056 1 0 1 18.72 1.35 4.7403 0 0 6 19.98 15.91 4.4445 1 1 0 20.22 5.41 4.3912 1 1 1 20.48 1.81 4.3359 1 0 3 20.64 10.56 4.3030 0 2 4 20.94 5.05 4.2422 1 1 2 22.09 5.59 4.0243 1 1 3 23.61 32.80 3.7688 1 1 4 24.04 7.01 3.7019 1 0 5 24.79 7.44 3.5914 1 2 1 24.99 1.24 3.5639 0 2 6 25.05 1.58 3.5552 0 0 8 25.43 33.46 3.5023 1 1 5 26.35 1.26 3.3821 1 2 3 27.51 18.36 3.2423 1 1 6 27.65 3.84 3.2262 1 2 4 30.86 79.52 2.8978 1 3 0 31.02 56.74 2.8829 1 3 1 31.45 8.16 2.8442 0 0 10 31.51 2.12 2.8395 1 3 2 32.24 60.97 2.7763 1 1 8 32.30 11.43 2.7713 1 3 3 32.83 51.97 2.7281 0 2 9 33.15 15.76 2.7025 0 4 0 33.39 34.83 2.6835 1 3 4 34.51 2.90 2.5990 0 4 3 34.74 34.89 2.5821 1 3 5 34.83 82.17 2.5755 1 1 9 36.34 10.66 2.4724 1 3 6 36.82 16.00 2.4410 0 4 5 36.87 18.92 2.4378 2 0 0 37.54 15.35 2.3957 1 1 10 37.79 22.46 2.3808 1 2 9 37.83 1.79 2.3781 2 1 0 37.97 2.50 2.3699 2 1 1 38.07 14.40 2.3637 1 4 0 39.98 4.58 2.2553 2 1 4 40.15 9.05 2.2462 1 3 8 41.14 2.80 2.1941 2 1 5 41.99 5.16 2.1515 0 4 8 42.32 5.72 2.1358 1 3 9 42.63 1.93 2.1211 2 2 4 44.60 1.00 2.0316 0 0 14 45.92 1.89 1.9764 1 5 0 46.03 2.02 1.9717 1 5 1 46.25 4.32 1.9629 1 1 13 46.96 1.33 1.9348 1 5 3 47.76 3.03 1.9042 1 5 4 48.78 2.95 1.8669 1 5 5 49.23 2.74 1.8510 2 0 10 49.32 5.84 1.8477 1 1 14 50.19 99.91 1.8178 2 2 9 50.41 38.78 1.8102 2 4 0 51.39 2.74 1.7781 2 4 3 51.59 2.01 1.7717 1 2 14 52.39 11.82 1.7465 0 6 4 52.40 8.13 1.7461 1 3 13 52.47 2.97 1.7441 1 1 15 53.01 7.28 1.7274 1 5 8 53.09 13.46 1.7249 2 4 5 53.92 7.58 1.7005 0 4 13 54.48 3.53 1.6841 0 6 6 54.78 15.92 1.6757 1 5 9 55.22 8.22 1.6635 1 3 14 56.72 3.56 1.6230 1 5 10 57.10 4.86 1.6131 2 4 8 57.33 3.94 1.6072 3 1 0 57.43 2.63 1.6046 3 1 1 57.68 4.41 1.5982 0 2 17 58.14 2.90 1.5867 1 3 15 58.40 25.90 1.5801 0 0 18 58.52 1.31 1.5772 2 5 4 58.91 3.70 1.5676 3 1 4 58.99 3.29 1.5658 1 1 17 59.02 36.05 1.5652 0 6 9 59.48 1.18 1.5541 3 2 1 59.56 2.40 1.5522 0 4 15 59.80 2.95 1.5466 3 1 5 60.86 1.16 1.5221 3 1 6 62.71 4.77 1.4815 3 3 0 62.81 3.72 1.4795 3 3 1 63.15 12.74 1.4722 1 7 0 63.25 7.36 1.4702 1 7 1 63.53 4.10 1.4645 3 1 8 64.22 2.82 1.4504 3 3 4 64.29 6.77 1.4489 1 3 17 65.06 3.26 1.4337 3 3 5 65.11 7.50 1.4326 3 1 9 65.78 2.93 1.4197 2 6 4 66.07 1.14 1.4141 3 3 6 66.87 1.09 1.3992 3 1 10 67.03 8.26 1.3962 3 2 9 67.11 2.12 1.3947 2 4 13 67.22 2.63 1.3928 3 4 0 67.52 8.48 1.3873 1 3 18 67.61 1.18 1.3856 2 6 6 68.59 1.50 1.3683 1 5 15 68.83 3.21 1.3641 0 4 18 69.48 1.75 1.3528 3 4 5 69.57 1.03 1.3513 0 8 0 69.77 3.87 1.3480 0 6 14 70.45 1.39 1.3366 2 2 17 70.85 2.07 1.3300 1 3 19 71.10 6.19 1.3259 2 0 18 71.65 6.37 1.3171 2 6 9 72.14 1.09 1.3093 2 4 15 72.26 1.08 1.3074 1 7 10 74.27 2.94 1.2770 1 5 17 75.23 1.59 1.2631 0 8 8 75.41 1.14 1.2604 3 1 14 76.77 1.00 1.2415 2 2 19 77.87 1.51 1.2267 3 3 13 78.37 2.65 1.2202 3 5 8 78.46 5.97 1.2189 4 0 0 79.82 6.91 1.2015 3 5 9 80.19 1.52 1.1970 3 3 14 80.72 9.17 1.1904 2 4 18 81.43 2.98 1.1818 2 8 0 81.44 1.85 1.1817 3 5 10 81.53 1.10 1.1807 1 3 22 81.62 2.30 1.1796 2 6 14 82.01 1.60 1.1749 3 4 13 83.39 1.75 1.1590 3 1 17 83.55 1.96 1.1571 2 8 5 84.64 1.01 1.1451 1 1 24 85.34 1.72 1.1374 1 3 23 86.34 1.16 1.1268 3 1 18 86.85 1.40 1.1215 2 8 8 87.04 3.89 1.1195 3 7 0 87.13 2.22 1.1186 3 7 1 87.69 7.57 1.1129 4 2 9 87.87 3.33 1.1111 4 4 0 88.06 2.38 1.1092 3 3 17 88.16 2.44 1.1081 1 9 8 88.46 2.66 1.1052 1 7 17 89.31 1.16 1.0969 1 3 24 89.47 1.20 1.0953 2 6 17 89.59 7.84 1.0941 1 9 9 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.