Arrojadite-(KFe) Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070298 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 Locality: Nancy mine, North Groton, New Hampshite, USA CELL PARAMETERS: 24.6180 10.0690 16.5270 90.000 105.850 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: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 21 +/- 9 +/- 14 MAX. ABS. INTENSITY / VOLUME**2: 11.25684129 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.47 6.65 11.8410 2 0 0 10.40 2.13 8.5065 0 1 1 10.52 6.14 8.4061 -1 1 1 11.13 10.25 7.9493 0 0 2 11.56 1.77 7.6576 1 1 1 11.59 7.17 7.6352 -2 0 2 13.68 12.33 6.4748 2 1 1 14.15 1.22 6.2604 -3 1 1 14.96 5.92 5.9205 4 0 0 15.02 10.07 5.8966 2 0 2 16.04 24.92 5.5260 -4 0 2 16.95 4.12 5.2310 -4 1 1 17.62 15.35 5.0345 0 2 0 18.59 1.80 4.7729 -2 1 3 18.92 3.90 4.6897 0 1 3 19.16 7.47 4.6331 2 2 0 19.48 6.25 4.5572 4 1 1 19.54 4.26 4.5427 -3 1 3 20.93 2.67 4.2447 3 2 0 21.02 2.04 4.2273 4 0 2 21.14 2.63 4.2030 -2 2 2 21.55 7.17 4.1230 -2 0 4 21.76 2.79 4.0837 1 2 2 23.19 3.36 3.8353 4 2 0 23.23 1.83 3.8288 2 2 2 23.42 2.79 3.7986 -6 1 1 23.91 1.58 3.7216 -4 2 2 25.19 2.03 3.5349 3 2 2 25.75 2.03 3.4597 -6 1 3 25.83 5.22 3.4497 5 2 0 26.03 2.57 3.4230 -5 2 2 26.24 24.13 3.3959 6 1 1 26.96 15.65 3.3076 4 1 3 27.15 1.99 3.2850 -6 0 4 27.15 4.92 3.2840 0 3 1 27.55 1.85 3.2374 4 2 2 27.63 5.14 3.2281 1 3 1 27.78 14.44 3.2115 -2 3 1 27.85 27.72 3.2038 6 0 2 28.04 1.39 3.1825 -1 2 4 28.42 1.18 3.1405 -3 2 4 28.52 3.21 3.1302 -6 2 2 28.56 3.49 3.1254 -7 1 3 28.62 4.62 3.1195 2 3 1 28.69 1.26 3.1114 -1 1 5 29.36 100.00 3.0419 -4 2 4 29.39 7.86 3.0389 -4 1 5 30.06 1.66 2.9732 3 3 1 30.19 1.52 2.9603 8 0 0 30.49 1.17 2.9320 -8 1 1 30.59 1.25 2.9226 -5 1 5 31.17 1.70 2.8690 2 2 4 31.29 1.02 2.8590 -7 2 2 31.35 19.59 2.8536 -2 3 3 31.55 8.11 2.8355 0 3 3 31.60 6.33 2.8311 -8 1 3 31.87 4.24 2.8080 7 2 0 31.90 9.93 2.8054 4 3 1 31.94 2.08 2.8020 -3 3 3 32.20 17.95 2.7796 -6 1 5 32.28 1.78 2.7730 -5 3 1 32.34 4.06 2.7681 1 3 3 32.40 19.30 2.7630 -8 0 4 32.55 20.26 2.7509 -2 0 6 32.97 2.90 2.7167 -4 3 3 33.01 3.78 2.7139 6 1 3 33.06 1.35 2.7095 3 2 4 33.14 74.43 2.7029 6 2 2 33.56 3.43 2.6706 2 3 3 34.53 6.98 2.5975 -6 3 1 35.17 8.72 2.5518 8 2 0 35.26 7.16 2.5451 -6 0 6 35.28 17.24 2.5442 4 2 4 35.67 15.47 2.5173 0 4 0 36.26 1.43 2.4772 7 2 2 36.51 2.65 2.4610 -10 0 2 36.65 3.08 2.4521 4 1 5 36.72 1.07 2.4473 2 0 6 37.10 1.11 2.4231 4 3 3 37.12 11.21 2.4222 -8 2 4 37.25 9.11 2.4140 -2 2 6 37.47 1.35 2.4001 -9 2 2 37.62 1.98 2.3907 -2 4 2 37.69 4.97 2.3865 -4 2 6 37.92 2.61 2.3728 -10 1 1 38.00 1.27 2.3682 10 0 0 38.21 2.50 2.3554 -10 1 3 38.50 2.61 2.3381 -5 2 6 38.88 3.62 2.3166 4 4 0 39.02 2.90 2.3083 0 3 5 39.05 1.46 2.3069 -9 1 5 39.20 1.99 2.2984 -3 1 7 39.30 1.36 2.2926 7 3 1 39.33 1.81 2.2909 -2 1 7 39.52 1.42 2.2800 1 2 6 39.55 1.32 2.2786 8 2 2 39.74 1.10 2.2680 8 1 3 39.83 1.29 2.2632 -8 3 1 39.91 6.70 2.2589 -5 3 5 40.59 3.87 2.2228 5 4 0 40.72 3.77 2.2156 0 1 7 40.81 1.17 2.2110 -10 2 2 41.06 6.87 2.1981 -6 1 7 41.20 1.94 2.1910 -7 2 6 42.06 3.10 2.1485 -2 4 4 42.17 4.42 2.1430 10 2 0 42.51 1.01 2.1266 0 4 4 42.60 1.93 2.1224 6 4 0 42.71 2.26 2.1169 10 0 2 42.78 2.19 2.1136 8 0 4 42.80 2.31 2.1127 3 2 6 42.83 2.98 2.1116 -7 3 5 43.04 3.82 2.1015 -4 4 4 44.05 1.51 2.0559 -8 1 7 44.89 1.82 2.0194 4 2 6 44.91 1.12 2.0181 11 1 1 45.39 1.34 1.9981 -6 4 4 45.65 1.94 1.9874 -12 1 1 45.65 2.99 1.9873 0 0 8 45.80 5.13 1.9812 -2 5 1 46.21 1.35 1.9643 -10 3 3 46.54 5.22 1.9514 10 2 2 46.60 4.98 1.9489 8 2 4 46.72 1.70 1.9443 -8 4 2 47.23 1.22 1.9246 5 2 6 47.41 2.06 1.9177 8 4 0 47.49 2.27 1.9144 4 4 4 47.49 1.31 1.9144 4 1 7 47.52 2.01 1.9134 -10 2 6 47.54 3.10 1.9128 8 3 3 47.64 7.72 1.9088 -8 0 8 48.21 1.09 1.8877 -2 5 3 48.39 3.50 1.8810 0 3 7 48.81 1.48 1.8660 -6 2 8 48.95 2.79 1.8608 -8 4 4 49.05 3.08 1.8571 -2 4 6 49.23 1.19 1.8507 -9 4 2 49.26 2.14 1.8498 -11 3 3 49.62 1.08 1.8371 -13 1 1 49.86 1.84 1.8291 -7 3 7 50.84 3.52 1.7959 2 3 7 51.18 2.01 1.7848 -8 2 8 51.31 2.75 1.7805 -10 0 8 51.38 1.64 1.7785 -6 1 9 51.72 1.50 1.7674 6 4 4 51.96 9.47 1.7597 -10 4 2 52.01 1.31 1.7584 6 5 1 52.12 5.51 1.7550 -14 0 2 52.12 9.21 1.7547 2 4 6 52.41 1.12 1.7457 4 5 3 52.41 2.02 1.7457 4 0 8 52.48 3.39 1.7437 -12 3 3 52.60 1.24 1.7399 0 1 9 52.93 1.60 1.7299 -12 2 6 53.54 2.81 1.7115 -10 4 4 53.89 4.10 1.7013 0 5 5 54.52 7.12 1.6830 -8 5 1 54.83 2.41 1.6744 -14 1 5 54.89 1.44 1.6727 -12 3 5 54.89 1.23 1.6726 -11 4 2 55.23 4.08 1.6632 -8 5 3 55.29 4.37 1.6616 2 6 0 55.45 4.76 1.6572 -14 2 2 55.61 2.64 1.6526 -6 5 5 55.67 2.71 1.6509 12 3 1 55.69 2.50 1.6504 2 5 5 55.73 8.30 1.6493 4 2 8 55.93 1.13 1.6439 -14 0 6 55.93 1.17 1.6439 -13 2 6 55.99 1.28 1.6425 -12 0 8 56.11 1.46 1.6390 -2 6 2 56.16 1.17 1.6379 -6 0 10 56.18 1.50 1.6373 -11 4 4 56.44 4.04 1.6303 8 5 1 56.59 1.23 1.6264 -10 1 9 56.86 1.03 1.6193 -15 1 3 57.20 1.23 1.6105 -4 3 9 57.53 6.20 1.6019 12 0 4 57.81 2.13 1.5949 -4 4 8 57.85 1.02 1.5938 -8 0 10 58.01 1.01 1.5899 0 0 10 58.60 1.03 1.5752 4 5 5 58.98 4.85 1.5660 10 0 6 59.17 3.73 1.5615 -12 2 8 59.24 1.11 1.5598 0 4 8 59.24 1.37 1.5598 4 6 2 59.33 4.13 1.5575 -6 2 10 60.24 2.22 1.5363 -4 6 4 60.60 1.10 1.5279 -4 5 7 60.64 1.72 1.5270 -10 0 10 60.67 3.34 1.5265 12 2 4 60.87 1.14 1.5219 2 0 10 61.29 1.67 1.5125 2 6 4 61.62 2.00 1.5052 2 4 8 61.70 1.75 1.5033 2 3 9 61.80 1.09 1.5013 -6 5 7 62.38 3.27 1.4886 -10 5 5 62.47 3.33 1.4866 6 6 2 62.53 1.99 1.4854 6 5 5 62.53 1.25 1.4853 -4 1 11 62.78 1.09 1.4801 16 0 0 62.82 1.58 1.4793 -10 3 9 63.19 1.24 1.4714 -13 1 9 63.37 1.65 1.4677 -7 1 11 63.45 1.17 1.4660 -16 2 2 63.65 1.03 1.4619 2 5 7 63.90 1.80 1.4568 2 2 10 64.75 3.20 1.4396 -14 4 2 65.02 1.25 1.4345 4 4 8 65.02 1.79 1.4343 -8 6 4 65.41 3.67 1.4268 -4 6 6 65.62 1.51 1.4227 14 0 4 65.76 2.69 1.4200 16 2 0 66.00 1.19 1.4155 -16 2 6 66.04 4.05 1.4148 8 2 8 67.35 1.33 1.3903 -2 7 3 69.07 1.65 1.3598 -13 3 9 69.24 1.40 1.3569 -7 3 11 69.56 3.63 1.3515 12 4 4 69.85 1.65 1.3466 -8 4 10 70.65 1.62 1.3334 10 3 7 70.71 1.94 1.3322 -18 0 6 70.86 1.07 1.3299 -18 1 1 70.87 1.37 1.3297 10 4 6 71.17 2.84 1.3249 0 0 12 71.36 2.08 1.3218 16 3 1 71.61 1.21 1.3177 -14 3 9 72.36 1.11 1.3060 6 2 10 73.54 1.63 1.2879 -18 2 6 77.17 2.16 1.2361 -19 1 7 77.65 1.22 1.2296 -1 1 13 83.95 1.24 1.1526 20 2 0 85.83 1.35 1.1322 -4 7 9 86.75 1.09 1.1226 6 8 4 88.20 1.67 1.1078 -10 8 4 89.46 1.13 1.0954 -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.