Dixenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the single crystal data of R100044 Araki T, Moore P B American Mineralogist 66 (1981) 1263-1273 Dixenite, CuMn14Fe(OH)6(AsO3)5(SiO4)2(AsO4): Metallic [As4Cu] clusters in an oxide matrix _database_code_amcsd 0000853 CELL PARAMETERS: 8.2460 8.2460 37.2350 90.000 90.000 120.000 SPACE GROUP: R3 ATOM X Y Z OCCUPANCY ISO(B) Mn 0.33333 0.66667 0.00622 0.900 1.392 Mg 0.33333 0.66667 0.00622 0.100 1.392 Fe 0.00000 0.00000 0.25749 1.000 0.566 Mn 0.04080 0.26170 0.06782 1.000 0.986 Mn 0.41580 0.33590 0.12987 1.000 1.068 Mn 0.10890 0.39760 0.19230 1.000 0.932 Mn 0.42260 0.31540 0.26133 1.000 0.832 Cu 0.33333 0.66667 0.31292 0.651 0.760 Cu 0.33333 0.66667 0.00300 0.192 1.071 Si 0.66667 0.33333 0.18792 0.860 0.620 As 0.66667 0.33333 0.18792 0.140 0.620 Si 0.00000 0.00000 0.14620 0.600 0.593 As 0.00000 0.00000 0.14620 0.400 0.593 Si 0.33333 0.66667 0.11357 0.240 0.575 As 0.33333 0.66667 0.11357 0.760 0.575 As 0.66667 0.33333 0.06992 1.000 0.702 As 0.33333 0.66667 0.25062 1.000 0.693 As 0.08854 0.37369 0.31589 1.000 0.674 O 0.00000 0.00000 0.10190 1.000 1.055 O 0.33333 0.66667 0.15840 1.000 1.186 O 0.66667 0.33333 0.23110 1.000 0.656 O 0.08990 0.44440 0.02120 1.000 1.082 O 0.46980 0.16590 0.09490 1.000 0.859 O 0.28370 0.45450 0.09880 1.000 0.859 O 0.16550 0.20810 0.16170 1.000 0.814 O 0.51940 0.12770 0.17070 1.000 0.829 O 0.36900 0.50100 0.22770 1.000 0.968 O 0.14680 0.22720 0.29050 1.000 0.941 O 0.46080 0.11850 0.29560 1.000 0.729 OH 0.21400 0.17910 0.03750 1.000 1.022 OH 0.23520 0.08140 0.22710 1.000 0.774 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 34 MAX. ABS. INTENSITY / VOLUME**2: 18.27280153 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.12 8.83 12.4117 0 0 3 12.62 20.02 7.0134 1 0 1 13.28 5.01 6.6676 0 1 2 14.27 20.18 6.2058 0 0 6 15.64 10.72 5.6660 1 0 4 17.20 3.28 5.1543 0 1 5 20.82 8.10 4.2659 1 0 7 21.48 2.81 4.1372 0 0 9 21.55 32.36 4.1230 1 1 0 22.73 13.68 3.9128 2 -1 3 22.73 17.61 3.9128 1 1 3 22.81 6.52 3.8993 0 1 8 25.05 2.28 3.5543 0 2 1 25.40 1.65 3.5067 2 0 2 25.95 14.10 3.4342 2 -1 6 25.95 36.96 3.4342 1 1 6 27.01 45.55 3.3016 1 0 10 27.71 4.48 3.2197 2 0 5 28.77 4.81 3.1029 0 0 12 29.20 1.69 3.0588 0 1 11 30.14 63.28 2.9646 0 2 7 30.61 41.87 2.9204 2 -1 9 30.61 58.13 2.9204 1 1 9 31.58 48.31 2.8330 2 0 8 33.28 19.60 2.6921 2 1 1 33.28 21.97 2.6921 3 -1 1 33.55 2.06 2.6712 -1 3 2 33.55 26.05 2.6712 1 2 2 33.72 3.36 2.6584 1 0 13 34.60 11.24 2.5924 2 1 4 34.81 16.57 2.5772 0 2 10 35.37 5.33 2.5376 -1 3 5 35.37 10.45 2.5376 1 2 5 36.04 10.08 2.4924 0 1 14 36.19 11.07 2.4823 0 0 15 36.23 18.83 2.4793 1 1 12 37.36 14.20 2.4070 2 1 7 37.36 25.98 2.4070 3 -1 7 37.79 39.60 2.3804 3 0 0 38.51 1.13 2.3378 0 3 3 38.56 18.10 2.3349 -1 3 8 38.56 10.59 2.3349 1 2 8 40.37 4.53 2.2342 0 2 13 40.59 5.89 2.2225 3 0 6 40.78 2.94 2.2127 1 0 16 41.31 3.87 2.1854 2 1 10 41.31 4.58 2.1854 3 -1 10 42.51 1.45 2.1266 2 -1 15 43.20 1.31 2.0940 0 1 17 43.76 2.59 2.0686 0 0 18 43.88 2.77 2.0633 0 3 9 43.92 3.78 2.0615 2 2 0 45.88 11.57 1.9778 -1 4 1 45.88 1.10 1.9778 1 3 1 46.09 1.94 1.9695 4 -1 2 46.21 15.51 1.9644 3 -1 13 46.90 1.37 1.9373 -1 4 4 46.90 3.82 1.9373 1 3 4 48.02 2.25 1.8945 1 2 14 48.02 2.12 1.8945 -1 3 14 48.15 1.50 1.8899 1 0 19 48.18 1.85 1.8887 0 3 12 48.18 2.49 1.8887 3 0 12 48.78 4.69 1.8670 2 0 17 49.08 2.57 1.8561 -1 4 7 49.08 2.36 1.8561 1 3 7 50.05 6.71 1.8225 4 -1 8 50.05 5.15 1.8225 3 1 8 50.67 3.24 1.8015 0 1 20 51.23 4.33 1.7833 4 0 1 51.54 1.89 1.7731 0 0 21 51.88 11.56 1.7625 2 1 16 51.88 19.23 1.7625 3 -1 16 52.32 11.02 1.7486 -1 4 10 52.32 1.90 1.7486 1 3 10 53.32 12.73 1.7181 0 3 15 53.32 4.62 1.7181 3 0 15 53.36 2.06 1.7171 4 -2 12 53.61 1.98 1.7095 3 1 11 53.91 17.98 1.7008 1 2 17 53.91 8.22 1.7008 -1 3 17 54.19 8.03 1.6925 4 0 7 55.10 1.80 1.6669 0 4 8 55.68 2.48 1.6508 2 0 20 55.82 1.35 1.6469 1 0 22 56.38 5.08 1.6320 -2 5 2 56.38 3.33 1.6320 2 3 2 56.49 2.76 1.6291 -1 4 13 56.50 2.87 1.6289 2 -1 21 56.50 2.37 1.6289 1 1 21 57.22 4.09 1.6098 4 0 10 57.61 2.07 1.6001 -2 5 5 57.61 1.99 1.6001 2 3 5 58.06 1.36 1.5885 4 -1 14 58.06 5.33 1.5885 3 1 14 58.17 1.23 1.5859 4 -2 15 58.17 3.55 1.5858 3 -1 19 58.44 2.49 1.5791 0 4 11 58.99 7.09 1.5657 5 -2 7 58.99 3.02 1.5657 3 2 7 59.17 2.15 1.5614 3 0 18 59.30 12.77 1.5583 1 4 0 59.30 25.13 1.5583 4 1 0 59.59 1.17 1.5515 0 0 24 59.81 2.49 1.5462 -1 5 3 59.81 1.93 1.5462 1 4 3 59.81 2.11 1.5462 4 1 3 59.81 1.44 1.5462 5 -1 3 59.85 2.57 1.5454 -2 5 8 59.85 9.79 1.5454 2 3 8 60.40 1.24 1.5325 1 2 20 60.40 8.25 1.5325 -1 3 20 60.54 1.34 1.5294 0 2 22 61.17 1.19 1.5151 4 0 13 61.34 2.23 1.5114 1 4 6 61.34 3.20 1.5114 5 -1 6 61.48 3.08 1.5083 -1 4 16 61.87 4.38 1.4996 5 -2 10 61.87 5.39 1.4996 3 2 10 62.67 7.13 1.4823 0 4 14 63.04 1.30 1.4747 2 3 11 63.05 2.05 1.4744 2 0 23 63.83 1.39 1.4583 5 -1 9 64.13 3.41 1.4521 2 -1 24 64.13 5.70 1.4521 1 1 24 65.05 1.07 1.4339 2 1 22 65.05 3.06 1.4339 3 -1 22 65.39 1.33 1.4272 0 5 1 65.65 2.12 1.4221 3 2 13 65.65 1.61 1.4221 5 -2 13 65.66 1.63 1.4220 3 0 21 66.60 1.32 1.4042 0 1 26 67.20 1.07 1.3931 -1 4 19 67.20 1.04 1.3931 1 3 19 68.23 3.82 1.3746 0 2 25 68.24 1.18 1.3743 3 3 0 69.26 1.66 1.3565 3 1 20 69.72 4.03 1.3487 -2 6 1 69.72 2.14 1.3487 2 4 1 69.88 1.55 1.3460 4 2 2 69.99 1.46 1.3443 2 2 21 70.26 1.41 1.3396 5 -2 16 70.64 1.80 1.3335 0 5 10 71.48 1.11 1.3198 -1 5 15 71.48 1.51 1.3198 5 -1 15 71.48 2.71 1.3198 4 1 15 71.48 1.06 1.3198 4 0 19 71.98 2.13 1.3119 2 3 17 72.22 2.27 1.3081 -2 6 7 72.22 1.15 1.3081 2 4 7 72.24 2.13 1.3079 1 1 27 72.47 1.37 1.3043 6 -3 9 72.48 2.18 1.3040 2 1 25 72.48 2.13 1.3040 3 -1 25 73.49 1.45 1.2886 0 4 20 73.94 1.05 1.2818 6 -1 1 74.10 1.12 1.2796 1 5 2 75.09 1.10 1.2651 1 2 26 76.38 1.94 1.2469 6 -1 7 76.38 2.35 1.2469 5 1 7 76.54 1.03 1.2447 -1 5 18 77.14 1.07 1.2365 -1 6 8 77.63 1.49 1.2299 -2 5 20 77.63 1.21 1.2299 2 3 20 77.75 1.94 1.2283 4 0 22 78.32 1.34 1.2208 2 4 13 78.95 1.69 1.2127 6 -1 10 80.24 1.50 1.1964 5 0 17 80.73 2.30 1.1904 -1 4 25 80.88 1.42 1.1885 2 -1 30 82.39 1.12 1.1705 5 -1 21 82.53 1.75 1.1689 6 0 6 82.65 1.06 1.1675 -2 6 16 82.65 1.99 1.1675 2 4 16 83.26 1.29 1.1605 3 1 26 84.05 2.85 1.1515 2 3 23 84.75 1.72 1.1438 0 6 9 86.19 1.83 1.1283 0 0 33 86.68 1.31 1.1233 6 -1 16 87.28 1.21 1.1171 0 4 26 88.30 1.12 1.1068 1 5 17 88.78 1.71 1.1021 3 2 25 88.78 2.68 1.1021 5 -2 25 89.26 1.68 1.0974 3 -1 31 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.