Herderite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100064 Harlow G E, Hawthorne F C American Mineralogist 93 (2008) 1545-1549 Herderite from Mogok, Myanmar, and comparison with hydroxyl-herderite from Ehrenfriedersdorf, Germany Locality: Mogok Stone Tract, Myanmar Note: 108370 AMCSD#0004658 CELL PARAMETERS: 9.7460 7.6640 4.7790 90.000 90.667 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Ca 0.33014 0.11216 0.99591 1.000 0.779 Be 0.33895 0.41410 0.53970 1.000 0.719 P 0.08160 0.27075 0.47351 1.000 0.542 O 0.04005 0.39814 0.24585 1.000 0.772 O 0.45729 0.28281 0.65111 1.000 0.753 O 0.19339 0.34517 0.67592 1.000 0.745 O 0.14551 0.10755 0.33633 1.000 0.816 F 0.32911 0.40918 0.21090 0.776 0.963 OH 0.32911 0.40918 0.21090 0.224 0.963 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 7 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 5.943845058 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.70 30.81 6.0243 1 1 0 18.21 2.70 4.8727 2 0 0 18.57 17.64 4.7787 0 0 1 21.61 4.53 4.1120 2 1 0 21.92 3.12 4.0550 0 1 1 23.21 19.45 3.8320 0 2 0 23.68 16.30 3.7570 -1 1 1 23.85 19.47 3.7308 1 1 1 25.96 16.25 3.4318 -2 0 1 26.27 49.90 3.3921 2 0 1 28.50 100.00 3.1321 -2 1 1 28.78 81.32 3.1019 2 1 1 29.66 27.01 3.0121 2 2 0 29.89 59.75 2.9895 0 2 1 31.23 46.29 2.8639 -1 2 1 31.36 42.43 2.8522 1 2 1 35.10 2.01 2.5565 -2 2 1 35.23 14.00 2.5476 -3 1 1 35.34 11.20 2.5399 2 2 1 35.58 27.99 2.5231 3 1 1 36.25 2.18 2.4779 3 2 0 36.36 4.50 2.4712 1 3 0 36.89 11.62 2.4363 4 0 0 37.65 3.11 2.3893 0 0 2 38.78 20.19 2.3218 4 1 0 39.51 1.86 2.2811 0 1 2 39.84 24.60 2.2626 2 3 0 40.02 25.07 2.2529 0 3 1 40.52 17.53 2.2265 -1 1 2 40.72 1.85 2.2156 1 1 2 40.87 36.48 2.2078 -3 2 1 41.17 4.54 2.1924 1 3 1 41.19 30.21 2.1918 3 2 1 41.40 13.74 2.1808 -4 0 1 41.81 13.73 2.1604 4 0 1 41.92 7.95 2.1552 -2 0 2 42.32 1.79 2.1355 2 0 2 43.13 8.36 2.0975 -4 1 1 44.20 6.33 2.0492 -2 3 1 44.70 4.59 2.0275 0 2 2 45.15 6.29 2.0081 3 3 0 45.61 17.31 1.9889 -1 2 2 45.80 18.54 1.9811 1 2 2 47.45 10.52 1.9160 0 4 0 48.00 2.87 1.8954 -4 2 1 48.17 2.02 1.8889 5 1 0 48.42 2.30 1.8800 1 4 0 48.51 14.29 1.8766 -3 1 2 48.82 3.41 1.8654 2 2 2 49.05 15.61 1.8571 3 1 2 49.35 2.31 1.8465 3 3 1 51.23 14.35 1.7831 2 4 0 51.38 18.72 1.7784 0 4 1 51.84 3.79 1.7635 -5 1 1 51.86 8.01 1.7631 4 3 0 52.69 12.44 1.7373 5 2 0 53.00 1.86 1.7277 -3 2 2 53.25 5.76 1.7203 -1 3 2 53.39 6.21 1.7159 -4 0 2 54.83 4.58 1.6745 -4 1 2 55.39 12.86 1.6587 -4 3 1 55.49 18.70 1.6560 4 1 2 55.72 11.51 1.6496 4 3 1 55.81 11.24 1.6473 -2 3 2 56.14 18.21 1.6384 2 3 2 56.15 5.24 1.6382 -5 2 1 56.67 4.69 1.6242 6 0 0 57.89 2.59 1.5929 0 0 3 58.98 5.60 1.5661 -4 2 2 59.35 2.30 1.5571 3 4 1 59.94 6.58 1.5433 -6 0 1 59.96 1.38 1.5427 -3 3 2 60.20 1.46 1.5372 1 1 3 60.41 4.99 1.5324 6 0 1 61.45 4.83 1.5089 2 0 3 62.06 5.84 1.4954 6 2 0 62.30 2.63 1.4903 -2 1 3 62.76 2.20 1.4804 2 1 3 62.83 2.04 1.4791 -1 4 2 62.88 1.20 1.4780 -5 3 1 63.08 2.15 1.4737 5 1 2 63.91 5.26 1.4567 -1 2 3 64.13 6.01 1.4521 1 2 3 64.53 4.54 1.4442 -1 5 1 64.60 1.41 1.4427 1 5 1 65.07 2.15 1.4335 4 4 1 65.14 1.86 1.4320 -2 4 2 65.17 2.16 1.4316 -6 2 1 65.44 2.80 1.4261 2 4 2 66.17 5.30 1.4122 -3 1 3 66.84 2.78 1.3997 3 1 3 66.92 1.53 1.3982 5 2 2 68.97 2.22 1.3617 -3 4 2 69.55 2.95 1.3517 0 3 3 70.57 1.79 1.3345 3 2 3 70.66 3.32 1.3331 -3 5 1 70.88 5.26 1.3296 3 5 1 71.41 1.43 1.3210 -6 3 1 71.42 2.32 1.3208 -7 1 1 71.45 1.06 1.3204 -4 1 3 72.04 1.28 1.3109 5 4 1 72.31 2.81 1.3068 4 1 3 72.37 1.43 1.3058 -2 3 3 74.25 3.81 1.2773 0 6 0 74.49 2.77 1.2738 -6 2 2 74.99 2.51 1.2665 1 6 0 75.05 1.07 1.2656 -7 2 1 75.08 2.95 1.2652 -4 2 3 75.55 3.79 1.2585 7 2 1 75.87 1.95 1.2540 -4 5 1 75.99 1.46 1.2523 -3 3 3 76.15 2.46 1.2501 4 5 1 76.22 1.77 1.2491 -2 5 2 76.50 3.01 1.2452 2 5 2 76.62 1.48 1.2436 3 3 3 76.96 11.11 1.2390 6 4 0 78.01 5.28 1.2249 0 4 3 78.03 1.48 1.2245 -5 1 3 78.09 1.10 1.2238 1 6 1 78.52 3.23 1.2182 8 0 0 78.85 1.87 1.2140 1 4 3 79.08 1.42 1.2110 5 1 3 79.56 1.36 1.2049 5 5 0 79.70 3.60 1.2031 8 1 0 79.82 3.85 1.2016 -3 5 2 80.23 4.96 1.1965 3 5 2 80.32 1.68 1.1954 2 6 1 80.38 2.71 1.1947 0 0 4 80.41 1.29 1.1943 -7 1 2 80.86 1.04 1.1887 3 6 0 81.01 1.16 1.1869 -4 3 3 81.47 1.17 1.1814 7 3 1 81.55 1.56 1.1804 0 1 4 81.57 2.81 1.1802 -5 2 3 81.83 2.86 1.1770 4 3 3 82.41 1.93 1.1702 1 1 4 82.60 2.84 1.1680 5 2 3 83.92 4.65 1.1530 -7 2 2 83.97 2.31 1.1524 3 6 1 84.74 1.98 1.1439 -6 0 3 84.88 3.52 1.1424 7 2 2 85.97 2.56 1.1307 6 0 3 87.02 4.01 1.1197 -1 6 2 87.13 1.30 1.1186 6 1 3 88.42 1.07 1.1056 5 3 3 88.59 4.83 1.1039 -6 4 2 89.11 1.02 1.0988 -2 6 2 89.16 4.28 1.0983 -4 4 3 89.35 2.83 1.0965 1 5 3 89.39 1.10 1.0961 -6 2 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.