Magnesio-axinite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070133 Andreozzi G B, Lucchesi S, Graziani G European Journal of Mineralogy 12 (2000) 1185-1194 Structural study of magnesioaxinite and its crystal-chemical relations with axinite-group minerals CELL PARAMETERS: 7.1340 9.1570 8.9340 91.940 98.110 77.460 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Si 0.21090 0.44980 0.23102 1.000 0.316 Si 0.21846 0.27405 0.52188 1.000 0.261 Si 0.69967 0.25808 0.01122 1.000 0.324 Si 0.64224 0.01769 0.23078 1.000 0.292 B 0.46270 0.63470 0.28590 1.000 0.387 Al 0.05319 0.79946 0.25516 1.000 0.292 Al 0.35128 0.93645 0.42062 1.000 0.316 Mg 0.76596 0.59547 0.11837 0.960 0.561 Mn 0.76596 0.59547 0.11837 0.020 0.561 V 0.76596 0.59547 0.11837 0.015 0.561 Cr 0.76596 0.59547 0.11837 0.005 0.561 Ca 0.74552 0.34737 0.39304 1.000 0.584 Ca 0.18237 0.10280 0.08373 0.975 0.647 Mn 0.18237 0.10280 0.08373 0.015 0.647 O 0.05080 0.60240 0.19240 1.000 0.411 O 0.23420 0.34280 0.08930 1.000 0.545 O 0.41900 0.48670 0.31150 1.000 0.418 O 0.13870 0.36740 0.36550 1.000 0.719 O 0.02070 0.24180 0.56180 1.000 0.403 O 0.32290 0.38020 0.64620 1.000 0.395 O 0.38170 0.12680 0.49680 1.000 0.371 O 0.53330 0.34220 0.87670 1.000 0.395 O 0.87730 0.15630 0.93280 1.000 0.395 O 0.76860 0.37270 0.13550 1.000 0.561 O 0.60910 0.13400 0.08880 1.000 0.671 O 0.43470 0.98250 0.24300 1.000 0.387 O 0.72200 0.09860 0.38470 1.000 0.379 O 0.79290 0.86950 0.17870 1.000 0.482 O 0.32550 0.74580 0.35500 1.000 0.324 O 0.09580 0.99550 0.32170 1.000 0.371 H 0.98900 0.96100 0.61900 0.950 0.553 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 8 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 5.903654693 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.90 8.28 8.9385 0 1 0 10.00 1.57 8.8446 0 0 1 14.06 10.09 6.2975 0 -1 1 14.11 10.25 6.2766 0 1 1 15.17 3.48 5.8415 -1 0 1 17.85 4.94 4.9695 -1 1 0 18.60 9.16 4.7710 1 1 1 19.62 1.60 4.5237 -1 1 1 21.24 2.63 4.1828 1 2 0 22.32 1.95 3.9836 0 2 1 22.40 5.63 3.9690 0 -1 2 23.29 1.10 3.8195 -1 -1 2 24.31 6.92 3.6612 1 2 1 25.61 2.05 3.4783 2 1 0 25.83 59.30 3.4490 2 0 0 25.98 13.20 3.4299 -1 2 0 26.19 9.98 3.4027 -2 -1 1 26.42 6.14 3.3737 -2 0 1 27.26 23.77 3.2710 -1 2 1 28.34 4.27 3.1488 0 -2 2 28.44 70.67 3.1383 0 2 2 29.05 11.51 3.0739 2 0 1 29.70 20.31 3.0083 -2 1 0 29.99 10.84 2.9795 0 3 0 30.01 17.41 2.9778 1 3 0 30.23 15.95 2.9568 -2 1 1 30.61 1.18 2.9207 -2 0 2 30.66 2.48 2.9159 1 2 2 31.09 36.63 2.8770 -1 -3 1 31.32 3.93 2.8561 -1 0 3 31.72 14.38 2.8207 0 3 1 31.93 3.00 2.8026 0 -1 3 32.00 4.56 2.7971 0 1 3 32.01 100.00 2.7963 -1 -1 3 32.05 13.67 2.7927 2 2 1 32.32 15.48 2.7702 1 3 1 32.55 11.42 2.7505 2 -1 1 33.42 3.89 2.6812 -2 -2 2 33.82 4.62 2.6508 -1 1 3 34.00 6.20 2.6368 -2 1 2 34.12 5.69 2.6281 1 -2 2 34.97 9.62 2.5655 2 1 2 35.12 17.87 2.5551 2 0 2 35.27 1.73 2.5448 -1 -3 2 35.33 8.62 2.5405 2 3 0 35.71 4.80 2.5140 -1 -2 3 36.15 1.33 2.4847 -2 2 0 36.30 1.38 2.4748 0 -3 2 36.57 1.24 2.4572 0 2 3 36.93 13.54 2.4342 1 -1 3 37.12 1.95 2.4218 -2 -1 3 37.24 16.32 2.4142 1 -3 1 37.45 3.72 2.4014 1 3 2 37.71 1.91 2.3855 2 2 2 37.85 1.37 2.3772 2 3 1 38.18 1.48 2.3571 -3 -1 1 38.27 7.29 2.3520 3 1 0 39.01 3.11 2.3088 -2 -3 2 39.10 1.17 2.3036 -3 0 1 39.64 1.40 2.2737 1 4 0 39.86 1.68 2.2618 -2 2 2 40.04 2.92 2.2519 -1 3 2 40.21 1.89 2.2426 -2 1 3 40.36 3.54 2.2346 0 4 0 40.81 1.32 2.2112 0 0 4 41.08 2.33 2.1973 3 1 1 41.13 4.18 2.1949 -1 0 4 41.48 25.64 2.1768 1 4 1 41.72 2.07 2.1652 -3 0 2 41.72 6.19 2.1648 0 4 1 41.93 24.36 2.1546 3 0 1 42.06 6.55 2.1481 0 -1 4 42.52 1.00 2.1259 -3 -2 2 42.59 3.56 2.1227 -3 1 1 42.79 1.53 2.1135 3 2 1 42.85 1.12 2.1103 2 3 2 43.88 1.20 2.0633 -1 -4 2 44.20 9.85 2.0490 -3 -3 1 44.29 2.05 2.0449 3 3 0 44.60 1.32 2.0317 -2 -3 3 44.62 6.03 2.0306 -2 3 1 44.67 4.78 2.0284 -1 -2 4 44.72 3.20 2.0264 1 0 4 45.05 1.61 2.0126 -3 1 2 45.22 7.19 2.0051 3 -1 1 45.23 1.61 2.0048 2 2 3 45.26 2.77 2.0035 -1 4 0 45.29 5.31 2.0023 1 1 4 45.43 6.33 1.9964 -2 -1 4 45.54 2.87 1.9918 0 4 2 45.60 11.49 1.9895 -2 0 4 45.72 1.48 1.9845 0 -2 4 45.83 11.56 1.9798 -3 -1 3 45.85 2.17 1.9792 0 2 4 46.20 2.49 1.9648 3 1 2 46.56 3.16 1.9507 -3 -3 2 46.65 4.18 1.9472 -3 0 3 46.82 3.10 1.9402 3 3 1 46.97 1.73 1.9344 3 0 2 47.43 6.48 1.9169 -2 3 2 47.44 1.04 1.9166 -1 2 4 48.10 1.05 1.8918 -2 1 4 48.36 3.14 1.8821 1 -3 3 49.99 1.77 1.8243 3 -1 2 50.26 1.02 1.8153 2 -2 3 50.38 1.07 1.8112 -3 -4 1 50.56 1.46 1.8053 1 -2 4 50.71 6.40 1.8002 1 -4 2 51.21 2.41 1.7837 0 -4 3 51.34 9.95 1.7797 -2 -4 3 51.55 1.14 1.7729 -1 0 5 51.55 2.51 1.7728 0 3 4 51.93 1.04 1.7609 -2 -3 4 52.34 1.88 1.7479 -2 3 3 52.64 1.92 1.7389 -2 -5 1 52.78 1.77 1.7343 3 4 1 53.08 1.83 1.7253 -4 -1 2 53.26 4.87 1.7200 -1 1 5 53.43 7.78 1.7150 -2 4 0 54.05 4.38 1.6965 2 2 4 54.23 1.37 1.6914 2 5 1 54.32 3.83 1.6888 2 -1 4 55.08 2.97 1.6674 -2 -5 2 55.23 4.85 1.6631 4 2 1 55.51 12.02 1.6555 0 5 2 55.55 1.42 1.6544 4 3 0 55.85 3.53 1.6461 1 1 5 56.07 7.35 1.6403 2 4 3 56.47 15.70 1.6295 -4 1 0 56.54 1.08 1.6277 -1 5 1 56.57 1.68 1.6270 3 -1 3 56.70 2.97 1.6234 -3 -4 3 56.92 9.99 1.6177 1 -1 5 57.20 1.07 1.6104 -2 1 5 57.59 3.00 1.6004 3 -3 1 57.66 1.97 1.5987 -4 -2 3 58.03 9.63 1.5894 -2 -4 4 58.15 1.05 1.5865 2 5 2 58.17 1.89 1.5859 3 5 0 58.37 1.05 1.5810 1 2 5 58.50 1.37 1.5776 2 -2 4 58.64 12.17 1.5744 0 -4 4 58.85 4.41 1.5691 0 4 4 59.01 2.53 1.5652 4 1 2 59.29 2.00 1.5585 -1 5 2 60.29 1.38 1.5352 3 5 1 60.47 3.48 1.5309 0 -5 3 60.65 1.70 1.5269 1 5 3 60.67 3.23 1.5264 0 5 3 60.81 2.11 1.5233 0 -3 5 61.20 4.54 1.5145 3 -2 3 61.48 1.20 1.5083 3 1 4 61.48 1.37 1.5082 -4 -4 2 61.50 2.00 1.5079 -3 3 3 61.67 3.24 1.5041 -4 2 0 62.17 1.09 1.4931 2 0 5 62.37 1.47 1.4889 2 6 0 62.51 3.24 1.4859 -1 3 5 62.51 3.14 1.4859 4 3 2 62.62 1.18 1.4835 -2 -6 1 63.06 1.63 1.4741 0 0 6 63.23 2.66 1.4706 3 4 3 63.55 3.37 1.4640 -2 5 0 63.73 1.69 1.4604 -4 0 4 63.88 1.31 1.4571 -3 -5 3 63.93 1.02 1.4562 -1 5 3 64.01 1.21 1.4546 4 -2 1 64.03 2.84 1.4541 -3 4 0 64.05 3.27 1.4537 0 1 6 64.07 1.73 1.4534 2 6 1 64.20 4.68 1.4507 -3 1 5 64.31 2.17 1.4486 3 5 2 64.96 3.07 1.4356 -4 -4 3 65.16 1.04 1.4316 2 -5 1 65.34 1.31 1.4281 -2 0 6 65.77 2.72 1.4199 -5 -2 1 65.84 4.18 1.4185 -4 -3 4 65.98 3.30 1.4158 3 -4 1 66.12 1.78 1.4132 0 -6 2 66.75 1.99 1.4013 0 -2 6 66.80 1.09 1.4004 4 5 0 66.81 1.94 1.4004 -2 4 4 66.92 4.54 1.3982 -2 -2 6 67.02 8.46 1.3963 4 4 2 67.06 2.53 1.3957 -1 6 0 67.49 1.12 1.3879 3 -3 3 68.07 1.34 1.3773 1 -1 6 68.66 1.68 1.3671 4 3 3 68.81 2.05 1.3644 1 4 5 68.96 2.94 1.3617 -5 -3 2 69.11 1.30 1.3592 5 2 1 69.49 1.29 1.3526 -3 -5 4 69.59 8.29 1.3510 -1 4 5 69.61 2.78 1.3507 -4 3 2 70.17 2.60 1.3412 -2 5 3 70.21 1.31 1.3405 -1 6 2 70.43 1.09 1.3369 -4 -2 5 70.44 2.12 1.3367 -2 -3 6 71.06 1.06 1.3267 3 1 5 71.27 1.29 1.3232 1 -2 6 71.41 11.58 1.3210 -5 0 3 71.63 2.48 1.3175 3 0 5 71.84 1.26 1.3140 2 -4 4 72.28 2.05 1.3071 3 2 5 72.98 1.51 1.2963 4 4 3 73.44 1.42 1.2894 1 3 6 73.77 3.81 1.2844 -3 5 1 73.85 2.04 1.2832 2 -5 3 74.35 1.09 1.2758 -1 -6 4 74.74 1.22 1.2702 -5 -2 4 74.89 1.20 1.2679 5 4 1 75.27 1.77 1.2625 3 3 5 76.18 2.66 1.2496 1 -6 3 77.15 2.91 1.2364 -5 -5 1 77.76 1.12 1.2281 -3 -6 4 77.85 2.81 1.2270 5 5 0 78.15 1.03 1.2230 5 -1 2 78.29 1.89 1.2212 2 3 6 78.44 1.44 1.2192 -4 -1 6 79.29 1.21 1.2082 1 1 7 79.38 1.53 1.2072 -2 -7 3 80.70 1.70 1.1907 2 -5 4 81.07 1.12 1.1862 -5 -5 3 83.65 1.33 1.1560 -2 4 6 83.84 1.79 1.1539 2 -3 6 85.12 1.17 1.1398 -1 -7 4 85.95 2.06 1.1309 -4 4 4 86.12 1.56 1.1292 1 8 1 87.26 1.00 1.1173 0 8 0 87.93 1.67 1.1105 -6 1 0 88.28 1.02 1.1070 2 -7 1 88.56 2.00 1.1042 0 7 4 89.03 1.50 1.0996 5 -2 3 89.25 1.48 1.0974 -2 0 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.