Argandite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R130044 Brugger J, Elliott P, Meisser N, Ansermet S American Mineralogist 96 (2011) 1894-1900 Argandite, Mn7(VO4)2(OH)8, the V analogue of allactite from the metamorphosed Mn ores at Pipji, Turtmann Valley, Switzerland Locality: Pipji, Turtmann Valley, Switzerland _database_code_amcsd 0018517 CELL PARAMETERS: 5.5038 12.2665 10.1055 90.000 95.559 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) Mn 0.00000 0.50000 0.50000 1.000 0.829 Mn 0.23235 0.17921 0.79338 1.000 0.947 Mn 0.74927 0.56820 0.99173 0.920 0.750 Mn 0.24910 0.20769 0.50088 0.940 0.813 V 0.53430 0.42008 0.70834 0.730 0.624 As 0.53430 0.42008 0.70834 0.270 0.624 O 0.56170 0.42947 0.88170 1.000 0.995 Oh 0.05350 0.30600 0.88750 1.000 1.090 Oh 0.07840 0.34490 0.40600 1.000 1.232 O 0.41590 0.29650 0.66770 1.000 1.398 Oh 0.07490 0.56120 0.88700 1.000 1.200 Oh 0.54330 0.68240 0.87240 1.000 1.192 O 0.34960 0.52030 0.63750 1.000 1.216 O 0.82050 0.42730 0.66160 1.000 1.437 H 0.01300 0.34700 0.80700 1.000 4.185 H 0.19300 0.36100 0.34200 1.000 4.185 H 0.05600 0.52700 0.80100 1.000 4.185 H 0.64000 0.74600 0.86400 1.000 4.185 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 11 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 11.89360198 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.38 12.11 7.7777 0 1 1 14.44 3.27 6.1333 0 2 0 16.93 1.47 5.2365 0 2 1 17.64 4.28 5.0290 0 0 2 17.67 21.65 5.0193 -1 0 1 17.73 7.03 5.0018 1 1 0 19.11 19.15 4.6454 -1 1 1 19.19 3.84 4.6261 1 0 1 21.75 19.87 4.0856 1 2 0 22.87 2.54 3.8888 0 2 2 22.89 4.66 3.8843 -1 2 1 23.49 14.08 3.7878 0 3 1 23.96 51.51 3.7145 -1 1 2 24.10 26.19 3.6933 1 2 1 26.22 26.43 3.3992 1 1 2 27.11 49.34 3.2895 -1 2 2 27.22 2.61 3.2767 1 3 0 27.58 43.99 3.2340 0 1 3 28.13 6.11 3.1725 0 3 2 29.14 3.41 3.0645 1 2 2 29.15 100.00 3.0637 1 3 1 29.87 3.96 2.9915 -1 0 3 30.38 2.78 2.9418 0 2 3 30.47 38.28 2.9333 0 4 1 30.76 10.69 2.9063 -1 1 3 32.64 21.27 2.7437 1 0 3 32.70 1.05 2.7390 2 0 0 33.32 15.61 2.6887 -1 2 3 33.47 22.39 2.6775 1 1 3 33.49 18.95 2.6759 1 4 0 33.49 2.48 2.6754 1 3 2 33.87 15.38 2.6463 -2 1 1 34.25 12.88 2.6182 0 4 2 34.27 1.81 2.6169 -1 4 1 34.60 14.65 2.5926 0 3 3 35.56 9.17 2.5249 2 1 1 35.71 6.77 2.5145 0 0 4 35.78 29.45 2.5096 -2 0 2 35.91 13.70 2.5009 2 2 0 36.24 10.41 2.4789 -2 2 1 36.55 2.75 2.4587 -2 1 2 37.24 13.95 2.4143 -1 3 3 37.83 16.78 2.3782 2 2 1 38.86 29.84 2.3172 1 4 2 39.56 7.51 2.2783 1 3 3 39.65 1.15 2.2730 2 1 2 39.84 9.77 2.2628 0 4 3 39.91 1.53 2.2590 -2 3 1 40.28 4.40 2.2390 1 5 0 40.75 2.73 2.2140 -1 2 4 40.93 4.85 2.2049 0 5 2 41.15 14.08 2.1936 -2 1 3 41.67 8.38 2.1674 1 5 1 42.19 3.71 2.1419 0 3 4 42.20 3.33 2.1414 -1 4 3 43.17 3.09 2.0954 -2 2 3 43.59 3.17 2.0762 -1 5 2 44.11 11.76 2.0531 -1 3 4 44.96 1.85 2.0160 1 5 2 45.35 12.12 2.0000 2 1 3 45.70 4.76 1.9851 0 1 5 46.39 2.14 1.9575 -2 3 3 46.56 1.33 1.9504 -1 0 5 46.61 6.78 1.9487 -2 0 4 47.22 5.02 1.9247 2 2 3 47.23 8.30 1.9246 -2 1 4 47.47 3.72 1.9154 1 6 0 47.96 2.96 1.8970 -1 5 3 48.05 12.74 1.8934 -1 6 1 48.49 10.12 1.8773 -1 4 4 49.05 4.20 1.8572 -2 2 4 50.37 1.04 1.8117 1 1 5 51.00 30.71 1.7906 1 4 4 51.39 2.86 1.7779 2 5 1 51.67 4.43 1.7689 2 0 4 51.74 3.15 1.7668 3 0 1 51.94 5.76 1.7604 -1 3 5 51.98 1.14 1.7591 -2 3 4 52.08 1.48 1.7560 0 5 4 52.25 3.51 1.7508 2 1 4 52.32 1.48 1.7487 3 1 1 53.05 13.81 1.7264 0 7 1 53.95 6.40 1.6996 2 2 4 54.43 11.74 1.6857 -2 1 5 54.76 5.71 1.6763 0 0 6 54.87 3.16 1.6731 -3 0 3 54.92 7.68 1.6717 1 3 5 55.02 4.52 1.6690 1 7 0 55.03 15.14 1.6688 -3 3 1 55.43 4.92 1.6577 -3 1 3 55.53 1.02 1.6548 0 7 2 55.55 1.06 1.6544 -1 7 1 55.70 4.52 1.6502 3 1 2 55.71 9.04 1.6500 -2 5 3 55.86 1.54 1.6458 -1 4 5 56.07 8.78 1.6402 1 5 4 56.60 2.61 1.6261 -3 3 2 57.06 1.48 1.6141 -3 2 3 57.33 2.29 1.6072 3 2 2 58.20 7.89 1.5850 -2 6 2 58.71 2.82 1.5726 1 4 5 58.77 2.11 1.5712 -2 3 5 58.81 2.71 1.5702 -3 4 1 58.86 27.35 1.5689 3 4 0 59.12 3.86 1.5627 2 5 3 59.52 11.35 1.5530 0 7 3 59.61 3.39 1.5510 0 3 6 59.72 3.45 1.5485 -3 3 3 60.12 5.08 1.5389 2 1 5 60.37 8.19 1.5333 0 8 0 60.43 12.85 1.5318 2 6 2 61.14 4.16 1.5158 0 8 1 61.31 1.35 1.5120 -1 7 3 61.70 1.94 1.5033 -3 2 4 62.56 3.10 1.4848 -2 1 6 63.19 3.16 1.4715 -2 7 1 63.22 1.25 1.4709 0 4 6 63.46 1.54 1.4658 -3 5 1 63.51 3.47 1.4648 3 5 0 63.82 3.83 1.4585 1 3 6 63.97 1.59 1.4555 1 8 1 64.08 1.41 1.4532 -2 2 6 64.15 12.80 1.4518 -1 4 6 64.59 4.84 1.4428 3 3 3 64.85 1.15 1.4377 0 7 4 65.39 2.90 1.4271 0 1 7 66.05 2.41 1.4146 -1 1 7 66.22 1.60 1.4112 -1 6 5 66.46 1.18 1.4069 1 8 2 67.70 1.98 1.3841 0 5 6 67.71 3.67 1.3838 -3 4 4 68.05 1.24 1.3777 -2 7 3 68.37 1.68 1.3720 1 7 4 68.38 3.16 1.3718 2 0 6 68.52 5.17 1.3695 4 0 0 69.18 1.03 1.3579 1 0 7 69.32 3.66 1.3556 0 3 7 69.95 3.09 1.3449 -1 3 7 70.37 1.63 1.3379 2 8 0 70.44 1.23 1.3368 3 6 1 70.74 2.61 1.3318 4 1 1 71.11 1.93 1.3258 1 2 7 72.20 3.32 1.3084 -2 8 2 72.38 1.04 1.3056 -4 1 3 72.98 1.29 1.2964 -2 2 7 73.53 1.29 1.2880 -1 8 4 73.65 1.36 1.2863 -4 3 2 75.14 1.50 1.2643 3 7 0 75.64 1.07 1.2572 0 0 8 76.14 1.68 1.2502 -4 3 3 77.80 1.81 1.2277 4 4 1 78.32 3.61 1.2209 -2 7 5 78.33 1.15 1.2206 1 9 3 79.55 2.99 1.2050 -2 8 4 82.03 1.23 1.1748 -3 8 1 82.10 1.17 1.1739 3 1 6 82.43 3.23 1.1701 -1 10 2 82.71 1.89 1.1668 -2 5 7 83.17 2.49 1.1615 2 7 5 83.39 1.40 1.1590 1 10 2 83.42 2.54 1.1586 2 8 4 83.61 4.43 1.1565 4 0 4 85.16 2.52 1.1394 -3 3 7 85.18 1.21 1.1392 2 6 6 85.19 1.81 1.1391 4 4 3 87.22 1.12 1.1177 1 4 8 87.30 1.55 1.1169 -2 9 4 87.50 3.01 1.1148 -4 0 6 87.87 3.74 1.1111 0 7 7 88.92 1.74 1.1007 3 4 6 89.44 2.19 1.0956 2 5 7 89.85 1.14 1.0917 3 6 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.