Esperite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060295 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: 8.7987 8.2686 15.2526 90.000 90.111 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: 34.81518935 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.60 53.85 7.6279 -1 0 1 11.60 52.51 7.6263 0 0 2 11.62 54.54 7.6151 1 0 1 14.70 3.06 6.0255 1 1 0 15.81 1.13 5.6066 -1 1 1 18.76 11.98 4.7309 -1 1 2 18.78 12.12 4.7248 1 1 2 20.15 7.82 4.4058 -1 0 3 20.18 7.17 4.3993 2 0 0 20.19 8.07 4.3984 1 0 3 22.87 2.52 3.8883 -1 1 3 22.90 2.48 3.8838 2 1 0 22.90 2.44 3.8832 1 1 3 23.32 8.94 3.8139 -2 0 2 23.33 9.38 3.8131 0 0 4 23.36 8.98 3.8075 2 0 2 23.63 6.93 3.7653 -2 1 1 23.65 4.65 3.7622 2 1 1 23.78 9.72 3.7418 1 2 0 24.49 9.34 3.6348 -1 2 1 24.49 8.00 3.6346 0 2 2 24.50 9.40 3.6334 1 2 1 26.53 23.96 3.3604 -1 2 2 26.54 23.46 3.3582 1 2 2 27.67 6.38 3.2241 -1 1 4 27.70 3.52 3.2202 1 1 4 27.81 23.84 3.2076 0 2 3 28.91 1.34 3.0889 -2 1 3 28.95 3.12 3.0838 2 1 3 29.63 50.49 3.0148 -1 2 3 29.65 50.26 3.0127 2 2 0 29.66 49.74 3.0124 1 2 3 30.23 17.26 2.9564 -2 2 1 30.25 20.01 2.9549 2 2 1 31.01 15.18 2.8842 -2 0 4 31.01 2.16 2.8839 -1 0 5 31.04 2.35 2.8812 -3 0 1 31.05 14.42 2.8805 1 0 5 31.06 14.90 2.8791 3 0 1 31.07 2.65 2.8787 2 0 4 31.92 3.87 2.8033 -2 2 2 31.93 4.11 2.8030 0 2 4 31.95 4.07 2.8007 2 2 2 33.54 10.78 2.6718 -1 2 4 33.57 11.60 2.6696 1 2 4 34.09 1.58 2.6302 1 3 0 34.59 3.37 2.5934 -2 2 3 34.63 4.29 2.5904 2 2 3 35.30 40.18 2.5426 -3 0 3 35.31 41.11 2.5421 0 0 6 35.36 40.49 2.5384 3 0 3 36.12 5.07 2.4869 -1 3 2 36.13 3.31 2.4860 1 3 2 36.99 4.49 2.4303 -3 1 3 37.00 3.48 2.4299 0 1 6 37.05 2.81 2.4266 3 1 3 37.52 2.34 2.3970 2 1 5 37.60 6.52 2.3921 3 2 0 38.04 6.55 2.3655 -2 2 4 38.04 5.91 2.3653 -1 2 5 38.07 5.91 2.3638 -3 2 1 38.08 6.08 2.3634 1 2 5 38.09 6.27 2.3626 3 2 1 38.09 6.58 2.3624 2 2 4 38.41 1.62 2.3433 -1 1 6 38.55 1.51 2.3357 2 3 0 39.01 2.81 2.3091 -2 3 1 39.02 5.64 2.3084 2 3 1 40.38 1.49 2.2339 -2 3 2 40.38 1.87 2.2338 0 3 4 40.40 1.75 2.2326 2 3 2 40.97 2.36 2.2029 -2 0 6 41.03 2.71 2.1997 4 0 0 41.04 2.16 2.1992 2 0 6 41.70 2.40 2.1658 -3 2 3 41.71 3.44 2.1657 -1 3 4 41.71 2.12 2.1655 0 2 6 41.73 4.97 2.1645 1 3 4 41.76 1.89 2.1632 3 2 3 42.13 3.95 2.1450 -2 2 5 42.19 4.49 2.1421 2 2 5 42.47 2.64 2.1287 -2 1 6 42.53 2.60 2.1257 4 1 0 42.54 2.70 2.1253 2 1 6 42.73 4.52 2.1163 -3 0 5 42.73 1.44 2.1160 -1 0 7 42.76 1.10 2.1146 -4 0 2 42.77 4.99 2.1141 1 0 7 42.81 4.30 2.1124 4 0 2 42.81 1.21 2.1122 3 0 5 42.95 2.89 2.1059 -4 1 1 43.00 2.17 2.1035 -1 2 6 44.22 15.61 2.0484 0 4 1 45.05 7.17 2.0124 1 4 0 45.55 1.00 1.9916 -3 3 1 46.68 2.74 1.9460 -1 4 2 46.69 2.19 1.9455 1 4 2 46.72 12.71 1.9441 -2 2 6 46.78 12.28 1.9419 4 2 0 46.79 12.55 1.9416 2 2 6 47.17 4.32 1.9268 -4 2 1 47.19 3.95 1.9260 4 2 1 47.48 2.62 1.9149 0 4 3 47.69 1.31 1.9070 -4 0 4 47.70 1.34 1.9066 0 0 8 47.78 1.55 1.9038 4 0 4 48.32 2.03 1.8836 -1 2 7 48.35 2.00 1.8826 -4 2 2 48.39 1.71 1.8809 3 2 5 48.65 1.36 1.8714 -1 4 3 48.67 1.54 1.8709 2 4 0 48.67 1.42 1.8708 1 4 3 49.05 1.97 1.8572 -2 4 1 49.06 2.83 1.8568 2 4 1 49.10 1.76 1.8554 -2 3 5 49.15 1.63 1.8536 2 3 5 50.27 1.12 1.8151 -4 2 3 51.33 2.85 1.7801 -1 4 4 51.35 4.22 1.7794 1 4 4 51.74 4.82 1.7667 -2 2 7 51.81 4.69 1.7645 2 2 7 52.07 6.08 1.7563 -2 4 3 52.10 4.00 1.7553 2 4 3 52.26 1.52 1.7506 -2 0 8 52.32 1.73 1.7485 -5 0 1 52.36 1.71 1.7474 3 0 7 52.49 3.36 1.7435 -3 2 6 52.57 4.31 1.7407 3 2 6 52.87 1.65 1.7316 -4 2 4 52.88 1.36 1.7313 0 2 8 52.95 1.79 1.7292 4 2 4 53.55 6.74 1.7113 0 4 5 53.64 2.90 1.7087 -4 3 1 53.96 2.83 1.6993 -1 2 8 54.00 2.24 1.6982 1 2 8 54.29 3.32 1.6896 3 4 0 54.75 1.18 1.6766 4 3 2 55.17 2.23 1.6647 -1 0 9 55.20 2.14 1.6639 -5 0 3 55.28 2.32 1.6618 4 0 6 55.71 5.87 1.6500 -3 4 2 55.74 7.51 1.6493 3 4 2 56.10 1.74 1.6394 -4 2 5 56.19 1.51 1.6369 4 2 5 56.37 1.24 1.6322 -4 1 6 56.42 1.22 1.6309 1 1 9 56.48 1.30 1.6294 5 1 3 56.86 1.04 1.6192 5 2 0 57.14 1.56 1.6121 -3 2 7 57.21 1.61 1.6101 2 2 8 57.23 1.48 1.6098 5 2 1 57.79 2.84 1.5954 -2 4 5 57.84 1.44 1.5943 2 4 5 57.84 2.97 1.5941 -2 3 7 57.91 1.08 1.5925 2 3 7 58.23 3.10 1.5844 -5 2 2 58.28 2.86 1.5833 5 2 2 58.48 2.55 1.5782 -1 4 6 58.51 5.05 1.5775 1 4 6 58.90 1.50 1.5681 0 2 9 59.73 4.03 1.5482 -1 5 3 59.74 3.25 1.5480 2 5 0 59.74 3.99 1.5479 1 5 3 59.85 6.34 1.5454 -3 4 4 59.89 6.26 1.5444 -4 2 6 59.90 5.46 1.5442 -1 2 9 59.90 5.37 1.5441 3 4 4 59.92 5.48 1.5436 -5 2 3 59.94 5.99 1.5433 1 2 9 59.94 2.25 1.5432 1 3 8 59.99 6.31 1.5420 5 2 3 60.00 5.02 1.5419 4 2 6 61.87 5.55 1.4997 0 4 7 61.91 2.54 1.4989 4 4 1 62.00 1.59 1.4968 4 3 5 62.25 1.76 1.4913 -5 2 4 62.34 2.06 1.4894 5 2 4 62.96 1.01 1.4762 2 2 9 63.33 9.87 1.4686 -3 0 9 63.43 9.70 1.4664 6 0 0 63.45 9.43 1.4661 3 0 9 63.97 1.63 1.4555 5 3 2 64.19 2.21 1.4510 -4 2 7 64.31 2.27 1.4485 4 2 7 64.49 2.30 1.4448 -4 4 3 64.55 2.59 1.4438 4 4 3 64.64 2.07 1.4420 -2 0 10 64.71 1.75 1.4406 -6 0 2 64.77 1.75 1.4393 4 0 8 65.18 1.00 1.4312 -5 2 5 65.20 1.23 1.4310 0 2 10 65.29 1.11 1.4291 5 2 5 65.82 1.12 1.4189 2 4 7 66.14 2.10 1.4128 -1 2 10 66.18 2.10 1.4120 1 2 10 66.40 1.20 1.4079 -3 4 6 67.68 1.16 1.3843 -1 4 8 67.75 1.48 1.3831 -5 3 4 68.34 3.78 1.3725 0 6 1 68.47 1.40 1.3703 -5 0 7 68.53 1.24 1.3693 1 0 11 68.61 1.32 1.3678 6 0 4 68.97 1.50 1.3616 -4 2 8 68.98 1.95 1.3615 1 6 0 69.06 1.81 1.3601 2 2 10 69.09 1.53 1.3595 6 2 2 69.57 1.10 1.3514 -4 4 5 69.65 1.14 1.3500 4 4 5 70.25 1.19 1.3400 5 4 0 70.59 1.55 1.3343 -6 2 3 70.66 1.58 1.3331 6 2 3 71.31 1.17 1.3225 -2 5 6 71.35 1.75 1.3218 4 5 0 71.36 1.20 1.3217 2 5 6 71.46 1.08 1.3201 -5 4 2 73.93 1.23 1.2821 1 6 4 74.52 1.65 1.2734 -2 6 3 74.66 3.45 1.2713 -6 0 6 74.68 3.27 1.2710 0 0 12 74.81 3.14 1.2692 6 0 6 75.08 1.60 1.2652 -3 4 8 75.18 1.41 1.2638 3 4 8 75.52 1.01 1.2590 2 2 11 75.69 1.45 1.2565 -2 4 9 75.74 1.31 1.2559 0 6 5 75.76 1.23 1.2555 2 4 9 77.01 1.31 1.2383 4 4 7 77.23 1.00 1.2352 -5 2 8 77.54 1.05 1.2311 -3 6 2 77.57 1.81 1.2308 3 6 2 78.74 1.02 1.2153 1 4 10 79.32 1.00 1.2079 -2 6 5 79.94 1.62 1.2001 1 6 6 80.55 1.58 1.1925 -6 4 1 80.57 2.28 1.1922 6 4 1 81.08 1.06 1.1861 -5 4 6 81.11 1.50 1.1858 -3 6 4 81.15 1.10 1.1852 3 6 4 81.20 1.05 1.1846 5 4 6 82.15 1.01 1.1733 -4 5 6 82.24 1.16 1.1722 4 5 6 82.28 2.39 1.1718 -5 2 9 82.29 1.66 1.1716 -2 2 12 82.36 1.68 1.1708 -7 2 3 82.39 2.24 1.1705 2 2 12 82.45 2.14 1.1698 7 2 3 82.46 1.67 1.1697 5 2 9 82.89 1.21 1.1647 0 6 7 84.05 1.14 1.1515 0 4 11 85.77 1.96 1.1328 -3 4 10 85.89 2.31 1.1316 3 4 10 86.36 1.05 1.1266 -4 4 9 86.50 1.00 1.1252 4 4 9 87.57 1.37 1.1141 -6 4 5 87.69 1.12 1.1129 6 4 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.