Arrojadite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050107 Moore P B, Araki T, Merlino S, Mellini M, Zanazzi P F American Mineralogist 66 (1981) 1034-1049 The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12: Crystal structure and crystal chemistry sample NM CELL PARAMETERS: 24.6720 10.0692 16.5730 90.000 106.534 90.000 SPACE GROUP: A2/a ATOM X Y Z OCCUPANCY ISO(B) Al 0.00000 0.50000 0.00000 1.000 0.600 Fe 0.47321 0.89531 0.22048 1.000 0.700 Fe 0.26656 0.00954 0.21173 1.000 0.700 Fe 0.14023 0.01559 0.10524 1.000 0.700 Fe 0.40367 0.25041 0.02298 1.000 0.700 Fe 0.39990 0.74383 0.03394 1.000 0.700 Fe 0.35132 0.70124 0.20352 1.000 0.700 Fe 0.34199 0.29518 0.21822 1.000 0.700 Ca 0.48587 0.22363 0.23404 0.500 1.300 Na 0.11986 0.51637 0.13523 1.000 1.500 Na 0.00000 0.00000 0.00000 0.500 1.500 Na 0.25000 0.12480 0.00000 0.500 1.500 Na 0.45600 0.94480 0.20370 0.500 1.500 K 0.25000 0.50900 0.00000 1.000 1.500 P 0.36662 0.01006 0.11457 0.500 0.500 P 0.33440 0.99720 0.08030 0.500 0.500 P 0.42435 0.46788 0.13165 1.000 0.500 P 0.03946 0.25200 0.12680 1.000 0.500 P 0.04849 0.76821 0.10200 1.000 0.500 P 0.21262 0.72485 0.12932 1.000 0.500 P 0.20536 0.30030 0.14028 1.000 0.500 O 0.36770 0.06250 0.02580 1.000 1.000 O 0.36330 -0.14120 0.11220 1.000 1.000 O 0.31790 0.07340 0.13820 0.500 1.000 O 0.42200 0.04690 0.18210 0.500 1.000 O 0.27180 0.95400 0.02240 0.500 1.000 O 0.32310 0.08600 0.14790 0.500 1.000 O 0.44560 0.44430 0.05190 1.000 1.000 O 0.39090 0.59700 0.12070 1.000 1.000 O 0.38720 0.34300 0.13170 1.000 1.000 O 0.47250 0.46780 0.21310 1.000 1.000 O 0.07520 0.16620 0.08430 1.000 1.000 O 0.03670 0.39580 0.09500 1.000 1.000 O -0.01990 0.18970 0.11010 1.000 1.000 O 0.06440 0.25420 0.22380 1.000 1.000 O 0.04890 0.64310 0.04580 1.000 1.000 O 0.08030 0.87340 0.06360 1.000 1.000 O -0.01140 0.81420 0.09670 1.000 1.000 O 0.07930 0.73710 0.19390 1.000 1.000 O 0.17120 0.67530 0.04860 1.000 1.000 O 0.27090 0.67650 0.12960 1.000 1.000 O 0.21050 0.87830 0.13480 1.000 1.000 O 0.19520 0.66480 0.20570 1.000 1.000 O 0.16460 0.34560 0.05620 1.000 1.000 O 0.26440 0.35510 0.14560 1.000 1.000 O 0.20550 0.14700 0.14430 1.000 1.000 O 0.18470 0.35610 0.21510 1.000 1.000 F 0.13950 0.00350 0.23010 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 21 +/- 9 +/- 14 MAX. ABS. INTENSITY / VOLUME**2: 12.24815627 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.48 6.07 11.8259 2 0 0 10.40 1.95 8.5050 0 1 1 10.50 5.65 8.4222 -1 1 1 11.14 9.38 7.9439 0 0 2 11.52 6.66 7.6836 -2 0 2 11.58 1.62 7.6412 1 1 1 13.72 11.22 6.4544 2 1 1 14.11 1.12 6.2784 -3 1 1 14.98 5.41 5.9130 4 0 0 15.10 9.12 5.8666 2 0 2 15.94 23.18 5.5615 -4 0 2 16.91 3.80 5.2438 -4 1 1 17.62 14.07 5.0346 0 2 0 18.52 1.66 4.7902 -2 1 3 18.93 3.57 4.6871 0 1 3 19.16 6.84 4.6323 2 2 0 19.44 3.95 4.5656 -3 1 3 19.55 5.68 4.5415 4 1 1 20.94 2.44 4.2432 3 2 0 21.10 2.42 4.2111 -2 2 2 21.13 1.85 4.2046 4 0 2 21.48 6.63 4.1373 -2 0 4 21.79 2.54 4.0786 1 2 2 23.20 3.08 3.8333 4 2 0 23.28 1.67 3.8206 2 2 2 23.38 2.56 3.8044 -6 1 1 23.84 1.46 3.7324 -4 2 2 25.26 1.84 3.5251 3 2 2 25.60 1.88 3.4793 -6 1 3 25.84 4.77 3.4474 5 2 0 25.95 2.38 3.4332 -5 2 2 26.33 21.92 3.3851 6 1 1 26.95 1.86 3.3079 -6 0 4 27.09 14.14 3.2916 4 1 3 27.15 4.51 3.2839 0 3 1 27.64 1.67 3.2272 4 2 2 27.64 4.70 3.2270 1 3 1 27.76 13.25 3.2133 -2 3 1 27.99 25.04 3.1883 6 0 2 28.01 1.27 3.1852 -1 2 4 28.33 1.09 3.1505 -3 2 4 28.41 3.25 3.1419 -7 1 3 28.43 2.97 3.1392 -6 2 2 28.64 4.22 3.1173 2 3 1 28.67 1.16 3.1141 -1 1 5 29.24 92.70 3.0542 -4 2 4 29.24 7.30 3.0541 -4 1 5 30.09 1.52 2.9701 3 3 1 30.23 1.38 2.9565 8 0 0 30.41 1.17 2.9395 -5 1 5 30.46 1.07 2.9347 -8 1 1 31.26 1.55 2.8617 2 2 4 31.31 18.02 2.8573 -2 3 3 31.45 5.89 2.8447 -8 1 3 31.56 7.43 2.8350 0 3 3 31.88 1.92 2.8074 -3 3 3 31.90 3.87 2.8056 7 2 0 31.94 9.06 2.8018 4 3 1 32.00 16.76 2.7971 -6 1 5 32.19 18.02 2.7807 -8 0 4 32.26 1.64 2.7751 -5 3 1 32.37 3.71 2.7655 1 3 3 32.48 18.68 2.7567 -2 0 6 32.89 2.68 2.7232 -4 3 3 33.17 1.22 2.7007 3 2 4 33.18 3.41 2.7004 6 1 3 33.26 67.50 2.6936 6 2 2 33.61 3.12 2.6663 2 3 3 34.50 6.41 2.5994 -6 3 1 35.04 6.70 2.5612 -6 0 6 35.20 7.96 2.5494 8 2 0 35.42 15.61 2.5345 4 2 4 35.67 14.18 2.5173 0 4 0 36.39 1.29 2.4686 7 2 2 36.42 2.44 2.4670 -10 0 2 36.82 2.79 2.4412 4 1 5 36.93 10.42 2.4341 -8 2 4 37.18 8.39 2.4179 -2 2 6 37.20 1.01 2.4168 4 3 3 37.39 1.25 2.4054 -9 2 2 37.55 4.61 2.3951 -4 2 6 37.60 1.82 2.3922 -2 4 2 37.90 2.40 2.3740 -10 1 1 38.05 1.16 2.3652 10 0 0 38.05 2.32 2.3647 -10 1 3 38.33 2.43 2.3484 -5 2 6 38.79 1.36 2.3216 -9 1 5 38.88 3.32 2.3161 4 4 0 39.03 2.66 2.3075 0 3 5 39.08 1.84 2.3047 -3 1 7 39.26 1.67 2.2946 -2 1 7 39.37 1.24 2.2886 7 3 1 39.59 1.30 2.2766 1 2 6 39.69 1.19 2.2707 8 2 2 39.77 6.22 2.2667 -5 3 5 39.81 1.18 2.2644 -8 3 1 40.60 3.54 2.2222 5 4 0 40.73 1.08 2.2153 -10 2 2 40.75 3.45 2.2141 0 1 7 40.83 6.42 2.2101 -6 1 7 40.97 1.81 2.2030 -7 2 6 42.01 2.85 2.1505 -2 4 4 42.22 4.04 2.1407 10 2 0 42.61 1.76 2.1216 6 4 0 42.64 2.77 2.1205 -7 3 5 42.89 2.04 2.1087 10 0 2 42.94 2.09 2.1062 3 2 6 42.95 3.53 2.1056 -4 4 4 43.02 1.97 2.1023 8 0 4 43.75 1.42 2.0691 -8 1 7 45.04 1.02 2.0130 11 1 1 45.06 1.64 2.0120 4 2 6 45.27 1.24 2.0032 -6 4 4 45.64 1.78 1.9879 -12 1 1 45.68 2.74 1.9860 0 0 8 45.79 4.71 1.9816 -2 5 1 46.08 1.25 1.9697 -10 3 3 46.65 1.56 1.9469 -8 4 2 46.70 4.72 1.9450 10 2 2 46.83 4.48 1.9400 8 2 4 47.22 1.88 1.9247 -10 2 6 47.32 7.26 1.9209 -8 0 8 47.43 1.10 1.9167 5 2 6 47.43 1.89 1.9167 8 4 0 47.60 2.06 1.9103 4 4 4 47.69 1.18 1.9069 4 1 7 47.71 2.80 1.9063 8 3 3 48.41 3.20 1.8801 0 3 7 48.57 1.38 1.8743 -6 2 8 48.80 2.58 1.8662 -8 4 4 49.00 2.83 1.8589 -2 4 6 49.12 1.98 1.8546 -11 3 3 49.16 1.09 1.8532 -9 4 2 49.62 1.72 1.8372 -7 3 7 50.88 1.89 1.7947 -8 2 8 50.94 2.59 1.7928 -10 0 8 50.95 3.21 1.7925 2 3 7 51.13 1.53 1.7865 -6 1 9 51.88 1.36 1.7625 6 4 4 51.89 8.72 1.7619 -10 4 2 52.04 5.07 1.7573 -14 0 2 52.05 1.19 1.7569 6 5 1 52.21 8.39 1.7521 2 4 6 52.34 3.14 1.7479 -12 3 3 52.49 1.02 1.7434 4 5 3 52.61 1.50 1.7396 -12 2 6 52.63 1.82 1.7392 4 0 8 52.64 1.14 1.7388 0 1 9 53.37 2.60 1.7166 -10 4 4 53.90 3.75 1.7010 0 5 5 54.51 6.53 1.6835 -8 5 1 54.54 2.25 1.6825 -14 1 5 54.63 1.35 1.6799 -12 3 5 54.82 1.14 1.6745 -11 4 2 55.13 3.76 1.6660 -8 5 3 55.29 4.00 1.6616 2 6 0 55.37 4.38 1.6592 -14 2 2 55.48 2.44 1.6563 -6 5 5 55.56 1.20 1.6540 -12 0 8 55.58 1.06 1.6535 -14 0 6 55.60 1.10 1.6529 -13 2 6 55.76 2.28 1.6486 2 5 5 55.79 2.46 1.6477 12 3 1 55.90 1.09 1.6448 -6 0 10 55.94 7.51 1.6438 4 2 8 56.00 1.39 1.6421 -11 4 4 56.09 1.34 1.6395 -2 6 2 56.19 1.15 1.6369 -10 1 9 56.51 3.69 1.6285 8 5 1 57.05 1.14 1.6143 -4 3 9 57.68 1.97 1.5982 -4 4 8 57.84 5.57 1.5941 12 0 4 58.76 3.51 1.5713 -12 2 8 59.09 3.85 1.5635 -6 2 10 59.27 1.02 1.5592 0 4 8 59.29 1.25 1.5586 4 6 2 59.34 4.34 1.5575 10 0 6 60.17 2.04 1.5379 -4 6 4 60.22 1.61 1.5367 -10 0 10 60.49 1.01 1.5305 -4 5 7 60.96 3.00 1.5198 12 2 4 61.01 1.03 1.5186 2 0 10 61.33 1.52 1.5115 2 6 4 61.62 1.01 1.5051 -6 5 7 61.72 1.82 1.5029 2 4 8 61.83 1.59 1.5006 2 3 9 62.18 3.03 1.4930 -10 5 5 62.37 1.16 1.4888 -4 1 11 62.44 1.48 1.4872 -10 3 9 62.55 3.04 1.4850 6 6 2 62.70 1.81 1.4818 6 5 5 62.72 1.17 1.4814 -13 1 9 63.06 1.54 1.4741 -7 1 11 63.39 1.07 1.4673 -16 2 2 64.04 1.64 1.4539 2 2 10 64.69 2.95 1.4410 -14 4 2 64.90 1.65 1.4368 -8 6 4 65.20 1.13 1.4309 4 4 8 65.31 3.38 1.4287 -4 6 6 65.64 1.11 1.4224 -16 2 6 65.85 2.45 1.4184 16 2 0 65.96 1.36 1.4162 14 0 4 66.39 3.64 1.4081 8 2 8 67.33 1.22 1.3908 -2 7 3 68.62 1.54 1.3677 -13 3 9 68.95 1.30 1.3620 -7 3 11 69.54 1.53 1.3518 -8 4 10 69.84 3.29 1.3468 12 4 4 70.34 1.82 1.3384 -18 0 6 71.02 1.45 1.3272 10 3 7 71.13 1.14 1.3255 -14 3 9 71.19 1.24 1.3245 10 4 6 71.22 2.60 1.3240 0 0 12 71.52 1.89 1.3192 16 3 1 72.68 1.00 1.3010 6 2 10 73.17 1.52 1.2935 -18 2 6 76.71 2.02 1.2424 -19 1 7 77.66 1.12 1.2295 -1 1 13 84.08 1.14 1.1513 20 2 0 85.70 1.24 1.1335 -4 7 9 88.06 1.53 1.1092 -10 8 4 89.02 1.05 1.0997 -12 6 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.