Esperite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070512 Tait K T, Yang H, Downs R T, Li C, Pinch W W American Mineralogist 95 (2010) 699-705 The crystal structure of esperite, with a revised chemical formula, PbCa2(ZnSiO4)3, isostructural with beryllonite Locality: Franklin, New Jersey, USA AMCSD#0014132 CELL PARAMETERS: 8.7889 8.2685 15.2535 90.000 90.050 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) Pb 0.24576 0.05520 0.25083 1.000 0.733 Ca 0.73827 0.46078 0.07414 1.000 0.615 Ca 0.76071 0.03835 0.08855 1.000 0.606 Zn 0.57626 0.33526 0.24338 1.000 0.628 Zn 0.07422 0.33879 0.09038 1.000 0.623 Zn 0.09274 0.33936 0.41626 1.000 0.629 Si 0.91112 0.22833 0.26527 1.000 0.464 Si 0.43933 0.22969 0.41207 1.000 0.459 Si 0.39507 0.22585 0.07455 1.000 0.471 O 0.40950 0.22950 0.18190 1.000 0.742 O 0.43390 0.73660 0.29470 1.000 0.734 O 0.26980 0.23030 0.36610 1.000 0.750 O 0.76840 0.25030 0.19790 1.000 0.687 O 0.91250 0.24220 0.01700 1.000 0.647 O 0.56550 0.25410 0.03460 1.000 0.679 O 0.54640 0.36720 0.36780 1.000 0.766 O 0.27620 0.36330 0.04170 1.000 0.782 O 0.91470 0.36440 0.34200 1.000 0.766 O 0.58890 0.55190 0.18810 1.000 0.908 O -0.01720 0.55450 0.10600 1.000 0.805 O 0.17230 0.55080 0.45320 1.000 0.813 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 7 +/- 14 MAX. ABS. INTENSITY / VOLUME**2: 19.01564151 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.60 96.36 7.6267 0 0 2 11.62 98.54 7.6181 -1 0 1 11.62 100.00 7.6124 1 0 1 14.71 5.60 6.0223 1 1 0 15.81 1.50 5.6061 0 1 2 15.82 2.07 5.6027 -1 1 1 15.82 1.34 5.6004 1 1 1 18.77 21.95 4.7278 -1 1 2 18.78 22.24 4.7251 1 1 2 20.17 14.33 4.4028 -1 0 3 20.18 14.81 4.3994 1 0 3 20.21 13.12 4.3944 2 0 0 22.88 4.61 3.8862 -1 1 3 22.90 4.48 3.8839 1 1 3 22.92 4.55 3.8805 2 1 0 23.33 17.22 3.8134 0 0 4 23.35 16.35 3.8091 -2 0 2 23.37 16.46 3.8062 2 0 2 23.65 12.68 3.7614 -2 1 1 23.66 8.52 3.7600 2 1 1 23.78 17.82 3.7410 1 2 0 24.49 14.69 3.6346 0 2 2 24.50 17.12 3.6337 -1 2 1 24.50 17.24 3.6330 1 2 1 25.77 1.22 3.4575 2 1 2 26.53 43.92 3.3592 -1 2 2 26.54 43.05 3.3582 1 2 2 27.68 11.69 3.2227 -1 1 4 27.70 6.47 3.2209 1 1 4 27.81 43.74 3.2077 0 2 3 28.93 2.45 3.0859 -2 1 3 28.96 5.72 3.0836 2 1 3 29.64 92.55 3.0138 -1 2 3 29.65 91.28 3.0127 1 2 3 29.67 92.09 3.0111 2 2 0 30.25 31.62 2.9545 -2 2 1 30.26 36.68 2.9538 2 2 1 31.02 3.96 2.8828 -1 0 5 31.04 27.78 2.8814 -2 0 4 31.04 26.47 2.8812 1 0 5 31.06 4.86 2.8789 2 0 4 31.08 4.29 2.8775 -3 0 1 31.09 27.26 2.8766 3 0 1 31.93 7.54 2.8030 0 2 4 31.95 7.09 2.8013 -2 2 2 31.96 7.47 2.8002 2 2 2 33.55 19.76 2.6710 -1 2 4 33.56 21.29 2.6700 1 2 4 34.09 2.90 2.6299 1 3 0 34.61 6.18 2.5916 -2 2 3 34.63 7.87 2.5902 2 2 3 35.30 75.44 2.5422 0 0 6 35.35 73.45 2.5394 -3 0 3 35.37 74.21 2.5375 3 0 3 36.12 9.29 2.4864 -1 3 2 36.13 6.08 2.4860 1 3 2 36.99 6.39 2.4300 0 1 6 37.03 8.20 2.4275 -3 1 3 37.06 5.15 2.4258 3 1 3 37.52 4.29 2.3974 2 1 5 37.63 11.93 2.3903 3 2 0 38.05 10.84 2.3647 -1 2 5 38.07 11.99 2.3639 -2 2 4 38.07 11.16 2.3638 1 2 5 38.09 12.08 2.3625 2 2 4 38.10 10.81 2.3618 -3 2 1 38.11 11.49 2.3612 3 2 1 38.43 2.97 2.3426 -1 1 6 38.54 1.71 2.3362 -1 3 3 38.55 1.76 2.3357 1 3 3 38.56 2.77 2.3349 2 3 0 39.02 5.15 2.3082 -2 3 1 39.03 10.35 2.3079 2 3 1 40.38 3.43 2.2338 0 3 4 40.39 2.72 2.2329 -2 3 2 40.41 3.21 2.2323 2 3 2 41.00 4.32 2.2014 -2 0 6 41.03 3.97 2.1997 2 0 6 41.08 4.96 2.1972 4 0 0 41.71 3.89 2.1656 0 2 6 41.72 6.31 2.1652 -1 3 4 41.73 9.13 2.1647 1 3 4 41.74 4.38 2.1638 -3 2 3 41.77 3.46 2.1626 3 2 3 42.15 7.24 2.1437 -2 2 5 42.18 8.25 2.1424 2 2 5 42.50 4.84 2.1273 -2 1 6 42.53 4.97 2.1258 2 1 6 42.57 4.75 2.1235 4 1 0 42.60 1.68 2.1223 -2 3 3 42.74 2.64 2.1155 -1 0 7 42.76 9.16 2.1146 1 0 7 42.78 8.26 2.1140 -3 0 5 42.81 2.22 2.1121 3 0 5 42.82 2.02 2.1118 -4 0 2 42.84 7.88 2.1109 4 0 2 43.00 5.29 2.1035 -4 1 1 43.01 3.98 2.1030 -1 2 6 43.02 1.81 2.1023 1 2 6 43.79 1.07 2.0671 0 4 0 44.22 28.64 2.0484 0 4 1 45.05 13.16 2.0122 1 4 0 45.56 1.15 1.9909 2 3 4 45.58 1.83 1.9904 -3 3 1 46.68 5.02 1.9457 -1 4 2 46.69 4.01 1.9455 1 4 2 46.75 23.29 1.9431 -2 2 6 46.78 23.03 1.9419 2 2 6 46.82 22.47 1.9402 4 2 0 47.22 7.89 1.9249 -4 2 1 47.23 7.22 1.9245 4 2 1 47.48 4.80 1.9149 0 4 3 47.70 2.46 1.9067 0 0 8 47.75 2.39 1.9045 -4 0 4 47.79 2.84 1.9031 4 0 4 48.33 3.72 1.8832 -1 2 7 48.35 1.77 1.8826 1 2 7 48.36 1.33 1.8822 -3 2 5 48.39 3.14 1.8809 3 2 5 48.40 3.66 1.8807 -4 2 2 48.42 1.61 1.8800 4 2 2 48.66 2.49 1.8712 -1 4 3 48.67 2.61 1.8709 1 4 3 48.68 2.82 1.8705 2 4 0 49.07 3.62 1.8567 -2 4 1 49.07 5.18 1.8565 2 4 1 49.12 3.22 1.8546 -2 3 5 49.15 3.00 1.8538 2 3 5 50.32 2.05 1.8132 -4 2 3 50.35 1.43 1.8123 4 2 3 51.34 5.23 1.7798 -1 4 4 51.34 7.74 1.7795 1 4 4 51.77 8.83 1.7658 -2 2 7 51.80 8.61 1.7648 2 2 7 52.09 11.14 1.7557 -2 4 3 52.11 7.33 1.7553 2 4 3 52.28 2.79 1.7497 -2 0 8 52.35 3.14 1.7477 3 0 7 52.39 3.17 1.7464 -5 0 1 52.53 1.10 1.7422 4 1 5 52.53 6.15 1.7421 -3 2 6 52.57 7.91 1.7408 3 2 6 52.88 2.49 1.7314 0 2 8 52.93 3.01 1.7298 -4 2 4 52.97 3.28 1.7287 4 2 4 53.26 1.07 1.7201 -2 3 6 53.28 1.02 1.7193 2 3 6 53.55 12.37 1.7113 0 4 5 53.68 5.31 1.7074 -4 3 1 53.69 1.61 1.7072 4 3 1 53.97 5.19 1.6990 -1 2 8 53.99 4.12 1.6985 1 2 8 54.31 6.09 1.6890 3 4 0 54.71 1.45 1.6777 1 3 7 54.72 1.02 1.6774 -3 3 5 54.74 1.13 1.6770 5 1 2 54.78 2.16 1.6758 4 3 2 55.18 4.09 1.6644 -1 0 9 55.28 3.91 1.6618 -5 0 3 55.28 4.25 1.6617 4 0 6 55.74 10.75 1.6492 -3 4 2 55.75 13.77 1.6489 3 4 2 56.16 3.19 1.6377 -4 2 5 56.20 2.77 1.6366 4 2 5 56.41 2.25 1.6312 1 1 9 56.44 2.26 1.6304 -4 1 6 56.48 1.07 1.6292 -5 1 3 56.52 2.38 1.6283 5 1 3 56.53 1.51 1.6280 -4 3 3 56.55 1.66 1.6273 4 3 3 56.92 1.90 1.6176 5 2 0 57.18 2.85 1.6109 -3 2 7 57.20 2.95 1.6105 2 2 8 57.23 1.27 1.6098 3 2 7 57.28 2.71 1.6085 5 2 1 57.81 5.20 1.5949 -2 4 5 57.83 2.65 1.5944 2 4 5 57.87 5.45 1.5935 -2 3 7 57.90 1.99 1.5927 2 3 7 58.30 5.67 1.5827 -5 2 2 58.32 5.24 1.5822 5 2 2 58.49 4.67 1.5779 -1 4 6 58.50 9.26 1.5776 1 4 6 58.61 1.35 1.5750 3 3 6 58.89 2.75 1.5682 0 2 9 58.95 1.20 1.5668 -4 3 4 59.54 1.44 1.5527 2 1 9 59.73 7.39 1.5481 -1 5 3 59.74 7.32 1.5480 1 5 3 59.75 5.95 1.5477 2 5 0 59.88 11.62 1.5446 -3 4 4 59.91 9.85 1.5440 3 4 4 59.91 10.02 1.5440 -1 2 9 59.93 10.99 1.5436 1 2 9 59.93 4.12 1.5435 1 3 8 59.95 11.44 1.5429 -4 2 6 60.00 10.02 1.5419 -5 2 3 60.00 9.21 1.5418 4 2 6 60.03 11.56 1.5411 5 2 3 60.08 1.12 1.5399 -2 5 1 60.72 1.12 1.5253 0 0 10 60.84 1.10 1.5225 5 0 5 60.89 1.46 1.5215 -4 1 7 61.54 1.24 1.5069 -2 4 6 61.56 1.04 1.5064 2 4 6 61.87 10.19 1.4997 0 4 7 61.93 1.76 1.4984 -4 4 1 61.94 4.65 1.4982 4 4 1 61.97 1.16 1.4974 -4 3 5 62.01 2.91 1.4966 4 3 5 62.33 3.22 1.4896 -5 2 4 62.37 3.77 1.4888 5 2 4 62.84 1.13 1.4789 -1 1 10 62.91 1.27 1.4773 -2 2 9 62.95 1.86 1.4766 2 2 9 63.38 18.05 1.4676 -3 0 9 63.43 17.32 1.4665 3 0 9 63.51 17.72 1.4648 6 0 0 64.01 2.98 1.4546 5 3 2 64.26 4.04 1.4496 -4 2 7 64.31 4.16 1.4485 4 2 7 64.54 4.20 1.4438 -4 4 3 64.57 4.75 1.4434 4 4 3 64.67 3.79 1.4414 -2 0 10 64.71 1.10 1.4406 2 0 10 64.76 3.20 1.4395 4 0 8 64.80 3.20 1.4388 -6 0 2 65.19 2.25 1.4311 0 2 10 65.26 1.83 1.4296 -5 2 5 65.31 2.04 1.4287 5 2 5 65.63 1.02 1.4225 5 3 3 65.78 1.50 1.4196 -2 4 7 65.81 2.06 1.4191 2 4 7 66.15 3.85 1.4126 -1 2 10 66.17 3.85 1.4123 1 2 10 66.44 2.20 1.4072 -3 4 6 66.48 1.83 1.4065 3 4 6 67.69 2.12 1.3842 -1 4 8 67.71 1.52 1.3839 1 4 8 67.83 2.71 1.3817 -5 3 4 68.35 6.94 1.3725 0 6 1 68.51 2.28 1.3696 1 0 11 68.56 2.55 1.3687 -5 0 7 68.66 2.41 1.3670 6 0 4 68.98 3.58 1.3614 1 6 0 69.04 2.74 1.3605 -4 2 8 69.04 3.33 1.3604 2 2 10 69.15 2.80 1.3584 6 2 2 69.62 2.01 1.3504 -4 4 5 69.66 2.08 1.3498 4 4 5 69.67 1.77 1.3496 -4 3 7 69.72 1.18 1.3487 4 3 7 70.23 1.20 1.3403 -1 6 2 70.23 1.02 1.3402 1 6 2 70.30 2.19 1.3391 5 4 0 70.68 2.83 1.3327 -6 2 3 70.72 2.89 1.3322 6 2 3 71.33 2.14 1.3222 -2 5 6 71.35 2.19 1.3218 2 5 6 71.39 3.20 1.3213 4 5 0 71.49 1.27 1.3196 -1 3 10 71.51 1.37 1.3193 1 3 10 71.53 1.97 1.3191 -5 4 2 71.77 1.64 1.3152 -1 6 3 71.78 1.58 1.3151 1 6 3 71.79 1.66 1.3149 2 6 0 72.06 1.81 1.3106 0 4 9 72.10 1.77 1.3101 2 6 1 72.72 1.60 1.3004 -1 2 11 72.83 1.69 1.2986 -6 2 4 72.85 1.82 1.2984 5 2 7 73.00 1.06 1.2960 0 6 4 73.01 1.09 1.2959 -2 6 2 73.02 1.05 1.2958 2 6 2 73.06 1.04 1.2951 -5 4 3 73.92 1.26 1.2822 -1 6 4 73.92 2.26 1.2821 1 6 4 74.53 3.02 1.2731 -2 6 3 74.54 1.51 1.2730 2 6 3 74.67 6.00 1.2711 0 0 12 74.77 6.30 1.2697 -6 0 6 74.84 5.75 1.2687 6 0 6 75.12 2.93 1.2646 -3 4 8 75.17 2.58 1.2640 3 4 8 75.18 1.29 1.2637 -5 4 4 75.22 1.70 1.2632 5 4 4 75.46 1.39 1.2598 -2 2 11 75.50 1.85 1.2593 2 2 11 75.71 2.66 1.2562 -2 4 9 75.74 2.41 1.2559 0 6 5 75.75 2.27 1.2557 2 4 9 75.88 1.09 1.2538 -3 0 11 75.98 1.38 1.2525 4 0 10 76.05 1.06 1.2514 -7 0 1 76.37 1.66 1.2470 3 6 0 76.95 1.45 1.2390 -4 4 7 77.01 2.41 1.2383 4 4 7 77.32 1.83 1.2340 -5 2 8 77.40 1.77 1.2330 5 2 8 77.57 1.93 1.2307 -3 6 2 77.58 3.33 1.2306 3 6 2 78.71 1.73 1.2157 -1 4 10 78.73 1.88 1.2155 1 4 10 79.34 1.84 1.2077 -2 6 5 79.81 1.49 1.2017 -3 5 7 79.88 1.29 1.2008 -5 5 1 79.93 1.23 1.2002 -1 6 6 79.94 2.98 1.2001 1 6 6 79.98 1.24 1.1996 -4 2 10 80.02 1.11 1.1991 3 2 11 80.14 1.24 1.1976 7 2 1 80.63 2.90 1.1916 -6 4 1 80.64 4.18 1.1914 6 4 1 81.01 1.28 1.1869 -7 2 2 81.04 1.21 1.1866 7 2 2 81.14 2.75 1.1854 -3 6 4 81.16 2.01 1.1851 3 6 4 81.16 1.93 1.1851 -5 4 6 81.21 1.93 1.1845 5 4 6 82.17 1.79 1.1731 -1 5 9 82.18 1.54 1.1729 1 5 9 82.21 1.86 1.1727 -4 5 6 82.25 1.21 1.1722 -5 5 3 82.25 2.13 1.1721 4 5 6 82.32 3.05 1.1713 -2 2 12 82.36 4.11 1.1708 2 2 12 82.38 4.37 1.1707 -5 2 9 82.46 3.06 1.1697 5 2 9 82.48 3.07 1.1694 -7 2 3 82.52 3.92 1.1690 7 2 3 82.60 1.20 1.1681 -2 6 6 82.62 1.12 1.1678 2 6 6 82.65 1.01 1.1675 4 6 0 82.89 2.23 1.1647 0 6 7 82.95 1.44 1.1640 4 6 1 82.98 1.32 1.1636 -6 4 3 83.02 1.40 1.1633 6 4 3 83.05 1.37 1.1629 1 0 13 83.12 1.15 1.1621 -6 0 8 83.24 1.17 1.1607 7 0 5 84.05 2.09 1.1516 0 4 11 84.54 1.03 1.1461 -7 2 4 84.59 1.14 1.1456 7 2 4 85.02 1.03 1.1409 -1 7 3 85.03 1.08 1.1408 1 7 3 85.04 1.10 1.1407 2 7 0 85.29 1.19 1.1380 -4 6 3 85.31 1.33 1.1377 4 6 3 85.82 3.58 1.1323 -3 4 10 85.87 4.23 1.1318 3 4 10 86.05 1.09 1.1298 7 3 2 86.42 1.93 1.1259 -4 4 9 86.44 1.12 1.1257 2 6 7 86.49 1.84 1.1253 4 4 9 86.74 1.26 1.1226 -3 2 12 86.80 1.29 1.1220 3 2 12 87.02 1.22 1.1197 -1 2 13 87.20 1.04 1.1179 6 2 8 87.61 1.00 1.1138 2 4 11 87.67 2.50 1.1131 -6 4 5 87.73 2.05 1.1125 6 4 5 87.96 1.71 1.1102 -5 2 10 88.04 1.73 1.1093 5 2 10 89.38 1.17 1.0962 -5 4 8 89.53 1.32 1.0948 -7 3 4 89.66 1.23 1.0935 -2 2 13 89.71 1.63 1.0931 2 2 13 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.