Wicksite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070274 Cooper M A, Hawthorne F C The Canadian Mineralogist 35 (1997) 777-784 The crystal structure of wicksite CELL PARAMETERS: 12.5107 12.9024 11.6571 90.000 90.000 90.000 SPACE GROUP: Pcab ATOM X Y Z OCCUPANCY ISO(B) P 0.39144 0.30143 0.22496 1.000 0.582 P 0.10100 0.44304 0.25356 1.000 0.584 P 0.26745 0.12409 0.47592 1.000 0.663 Fe 0.15443 0.20669 0.22665 0.780 0.719 Mg 0.15443 0.20669 0.22665 0.210 0.719 Fe 0.33291 0.04305 0.22587 0.640 0.566 Mg 0.33291 0.04305 0.22587 0.270 0.566 Al 0.33291 0.04305 0.22587 0.090 0.566 Fe 0.02571 0.26873 0.45508 0.700 1.171 Mn 0.02571 0.26873 0.45508 0.300 1.171 Ca 0.26395 0.37404 0.49346 1.000 0.895 Na 0.00000 0.00000 0.00000 1.000 2.621 H 0.01300 0.08500 0.54900 1.000 5.527 H -0.00700 0.07400 0.42100 1.000 5.527 O 0.49890 0.27540 0.28200 1.000 0.905 O 0.40920 0.33800 0.10080 1.000 0.937 O 0.32160 0.20270 0.22150 1.000 1.029 O 0.33580 0.38500 0.29730 1.000 0.926 O 0.16600 0.54440 0.25510 1.000 0.982 O 0.15500 0.36250 0.17650 1.000 0.790 O 0.09380 0.40340 0.37840 1.000 0.874 O -0.00970 0.46600 0.20130 1.000 1.237 O 0.19230 0.20330 0.41650 1.000 0.929 O 0.35270 0.18970 0.54000 1.000 1.134 O 0.20090 0.05190 0.55390 1.000 0.997 O 0.32970 0.05090 0.39590 1.000 1.219 O -0.02760 0.11650 0.48640 1.000 1.192 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 11 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 9.966259330 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.44 4.02 7.1148 1 1 1 13.73 19.01 6.4512 0 2 0 14.16 13.32 6.2554 2 0 0 15.20 13.76 5.8285 0 0 2 15.45 1.52 5.7338 1 2 0 16.69 2.02 5.3117 0 1 2 17.50 1.42 5.0688 2 1 1 18.14 1.79 4.8893 1 1 2 19.77 14.50 4.4908 2 2 0 20.54 7.69 4.3248 0 2 2 21.20 6.54 4.1906 2 2 1 21.95 7.43 4.0489 2 1 2 23.16 3.95 3.8402 1 3 1 24.97 2.48 3.5663 1 1 3 25.03 6.92 3.5574 2 2 2 25.43 23.59 3.5022 3 2 0 26.28 3.28 3.3907 2 3 1 26.73 2.08 3.3354 1 3 2 27.66 1.35 3.2256 0 4 0 29.50 5.73 3.0281 2 3 2 29.57 1.97 3.0208 4 0 1 29.61 65.53 3.0170 1 4 1 29.76 2.78 3.0020 3 2 2 30.39 17.76 2.9413 4 1 1 30.42 4.91 2.9384 2 2 3 30.68 79.52 2.9143 0 0 4 31.20 25.56 2.8669 2 4 0 31.47 29.85 2.8427 0 1 4 31.70 19.28 2.8222 0 4 2 31.85 1.76 2.8096 1 3 3 32.29 4.41 2.7720 1 1 4 32.49 100.00 2.7560 4 0 2 32.73 23.57 2.7358 4 2 1 33.24 18.34 2.6952 4 1 2 33.94 2.82 2.6417 2 0 4 34.25 1.51 2.6185 2 3 3 34.88 26.27 2.5725 2 4 2 35.42 1.27 2.5344 4 2 2 36.03 19.92 2.4924 3 4 1 36.37 10.09 2.4699 1 5 1 36.92 12.13 2.4344 1 4 3 37.27 1.92 2.4126 0 3 4 37.41 3.27 2.4036 5 1 1 37.94 1.04 2.3716 3 3 3 38.52 2.74 2.3370 2 5 1 38.59 8.16 2.3328 5 2 0 38.81 6.56 2.3204 4 3 2 39.54 2.90 2.2793 4 2 3 39.95 4.97 2.2566 1 1 5 40.06 1.50 2.2510 2 3 4 40.88 3.08 2.2077 2 5 2 41.77 1.29 2.1624 0 4 4 41.89 2.08 2.1565 3 5 1 41.94 4.06 2.1540 2 1 5 42.51 1.50 2.1265 5 3 1 42.65 1.30 2.1199 4 3 3 42.66 23.51 2.1193 1 6 0 42.68 3.48 2.1186 1 5 3 43.33 2.24 2.0883 3 3 4 43.40 8.38 2.0851 6 0 0 43.59 2.36 2.0763 5 1 3 43.75 2.49 2.0692 2 2 5 44.32 11.34 2.0437 2 4 4 44.55 1.24 2.0336 2 6 0 44.71 1.30 2.0271 6 1 1 45.10 2.09 2.0101 3 1 5 45.26 1.11 2.0033 2 6 1 45.54 3.74 1.9917 1 6 2 46.24 9.28 1.9633 6 0 2 46.43 1.71 1.9559 6 2 1 46.59 1.38 1.9492 5 4 1 46.76 2.38 1.9428 0 0 6 47.04 2.15 1.9320 0 5 4 47.58 2.04 1.9113 3 6 0 47.59 5.91 1.9107 3 5 3 47.90 4.75 1.8989 1 1 6 48.47 1.05 1.8782 5 1 4 48.71 1.32 1.8692 4 0 5 48.74 3.20 1.8683 1 4 5 48.96 1.05 1.8606 1 6 3 49.19 7.25 1.8524 6 3 1 49.26 1.74 1.8499 4 1 5 49.37 2.81 1.8459 2 5 4 49.54 4.44 1.8401 1 2 6 49.56 2.69 1.8395 3 3 5 49.64 5.44 1.8365 2 1 6 50.09 4.38 1.8212 5 2 4 50.45 1.90 1.8088 2 4 5 50.67 1.44 1.8016 1 7 1 50.86 1.15 1.7954 4 2 5 51.14 1.39 1.7860 6 3 2 51.37 5.97 1.7787 4 4 4 51.73 1.49 1.7670 6 2 3 52.04 3.83 1.7574 0 7 2 52.22 2.11 1.7519 4 6 1 52.24 10.85 1.7511 6 4 0 53.18 3.97 1.7224 7 2 0 53.22 9.75 1.7211 3 4 5 53.45 1.12 1.7143 4 3 5 53.46 3.23 1.7140 1 6 4 53.47 2.76 1.7136 1 5 5 53.81 5.25 1.7036 2 3 6 53.97 2.43 1.6989 3 2 6 54.08 1.88 1.6958 6 0 4 54.29 2.74 1.6896 6 3 3 54.58 1.58 1.6813 6 1 4 54.73 1.72 1.6771 6 4 2 55.08 3.82 1.6673 2 5 5 55.19 6.16 1.6643 0 4 6 55.64 3.23 1.6518 7 2 2 55.70 7.92 1.6504 4 0 6 56.19 14.16 1.6370 4 1 6 56.42 7.67 1.6309 5 6 0 56.43 1.58 1.6305 5 5 3 57.18 1.70 1.6110 7 1 3 57.28 3.98 1.6083 2 4 6 57.36 4.07 1.6064 6 5 1 57.68 2.03 1.5982 3 6 4 57.69 1.58 1.5979 3 5 5 57.75 1.92 1.5965 6 4 3 58.22 2.47 1.5847 1 8 1 58.79 5.74 1.5705 5 6 2 59.47 10.53 1.5544 0 8 2 59.68 1.15 1.5494 7 4 1 59.80 1.67 1.5466 3 7 3 60.03 2.49 1.5411 1 3 7 60.04 1.74 1.5408 4 3 6 60.07 1.83 1.5403 1 5 6 60.78 1.76 1.5238 5 1 6 61.36 2.01 1.5110 6 2 5 61.53 9.00 1.5071 8 2 1 61.56 4.57 1.5064 2 5 6 61.81 4.46 1.5010 6 4 4 62.01 1.82 1.4967 6 5 3 62.23 2.83 1.4919 3 8 1 62.82 5.60 1.4791 1 8 3 63.28 3.27 1.4695 1 4 7 63.86 1.18 1.4577 7 5 1 64.22 2.25 1.4503 7 4 3 64.34 3.69 1.4479 0 1 8 64.65 4.09 1.4417 8 1 3 65.07 7.87 1.4334 4 8 0 65.08 2.38 1.4332 4 2 7 65.60 1.99 1.4232 5 6 4 65.69 1.03 1.4214 6 0 6 65.91 1.86 1.4172 6 5 4 66.35 1.31 1.4088 2 7 5 67.13 1.17 1.3944 4 7 4 67.32 1.16 1.3909 4 3 7 68.04 1.31 1.3780 8 0 4 68.23 4.15 1.3745 7 6 0 69.67 1.14 1.3496 6 3 6 70.38 8.48 1.3378 7 6 2 70.41 4.52 1.3372 0 7 6 70.87 1.29 1.3296 1 7 6 71.32 1.68 1.3224 5 7 4 72.19 2.45 1.3086 7 1 6 73.48 1.67 1.2888 7 2 6 73.65 7.45 1.2863 4 8 4 74.53 3.98 1.2732 8 2 5 75.17 1.86 1.2640 3 8 5 76.22 1.87 1.2491 5 6 6 76.64 1.05 1.2433 8 3 5 76.65 2.53 1.2432 7 6 4 76.81 4.35 1.2409 0 8 6 77.19 1.01 1.2359 5 2 8 78.20 2.05 1.2223 4 4 8 78.29 1.08 1.2212 5 5 7 78.59 1.03 1.2172 2 8 6 80.35 1.62 1.1949 10 3 1 80.67 1.23 1.1911 7 8 1 80.86 1.20 1.1888 3 3 9 81.04 1.10 1.1865 4 10 1 86.45 1.62 1.1256 6 7 6 86.79 2.01 1.1221 7 6 6 86.94 1.39 1.1205 10 5 1 87.74 1.07 1.1124 7 2 8 88.74 1.01 1.1024 8 8 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.