Sarkinite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080065 Dal Negro A, Giuseppetti G, Pozas J M M Tschermaks Mineralogische und Petrographische Mitteilungen 21 (1974) 246-260 The crystal structure of sarkinite, Mn2AsO4(OH) CELL PARAMETERS: 12.7510 13.5770 10.1890 90.000 108.857 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Mn 0.10010 0.93080 0.47330 1.000 0.330 Mn 0.08680 0.42700 0.45100 1.000 0.280 Mn 0.38940 0.32280 0.02670 1.000 0.340 Mn 0.42160 0.82010 0.04220 1.000 0.280 Mn 0.19770 0.00310 0.21700 1.000 0.410 Mn 0.18860 0.52030 0.19270 1.000 0.310 Mn 0.30230 0.24890 0.28750 1.000 0.390 Mn 0.31660 0.73100 0.30250 1.000 0.330 As 0.42470 0.07142 0.12113 1.000 0.050 As 0.42541 0.57604 0.11348 1.000 0.010 As 0.07649 0.17874 0.37906 1.000 0.010 As 0.07540 0.67531 0.38360 1.000 0.040 O 0.17600 0.15190 0.30970 1.000 0.510 O 0.17710 0.64070 0.32230 1.000 0.530 O 0.33390 0.09500 0.20310 1.000 0.630 O 0.32020 0.61450 0.16650 1.000 0.460 O 0.43070 0.16190 0.00790 1.000 0.430 O 0.45910 0.66660 0.02220 1.000 0.480 O 0.45880 0.29320 0.25240 1.000 0.350 O 0.45980 0.79340 0.25510 1.000 0.570 O 0.12050 0.27620 0.48750 1.000 0.570 O 0.12080 0.77150 0.48990 1.000 0.580 O 0.05900 0.08830 0.48450 1.000 0.410 O 0.04680 0.58150 0.47230 1.000 0.540 O 0.05020 0.44740 0.23610 1.000 0.540 O 0.03390 0.95700 0.24660 1.000 0.610 O 0.37670 0.48010 0.00490 1.000 0.540 O 0.38280 0.97140 0.01740 1.000 0.570 OH 0.25410 0.97080 0.43850 1.000 0.490 OH 0.30040 0.41640 0.30680 1.000 0.580 OH 0.20780 0.83890 0.19620 1.000 0.650 OH 0.23960 0.27820 0.06710 1.000 0.620 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 12 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 22.36122182 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.68 12.19 6.0333 2 0 0 14.97 6.13 5.9165 1 2 0 15.97 7.62 5.5508 0 2 1 18.40 2.03 4.8211 0 0 2 19.50 1.11 4.5514 -2 0 2 19.61 4.45 4.5261 -2 2 1 21.86 4.85 4.0662 -1 2 2 23.06 1.13 3.8565 3 1 0 23.71 3.81 3.7519 2 2 1 25.62 47.27 3.4773 1 2 2 25.75 4.69 3.4604 3 2 0 26.26 1.38 3.3942 0 4 0 27.15 69.36 3.2841 2 0 2 28.06 100.00 3.1804 -1 4 1 29.42 89.79 3.0364 -4 0 2 29.61 8.84 3.0167 4 0 0 29.72 1.23 3.0064 3 3 0 29.99 9.61 2.9796 -2 2 3 30.21 13.72 2.9582 2 4 0 30.35 1.11 2.9448 4 1 0 30.78 44.74 2.9049 0 2 3 30.99 23.77 2.8853 -4 2 1 32.25 8.07 2.7754 0 4 2 32.92 11.00 2.7209 -2 4 2 33.86 43.20 2.6472 -3 4 1 35.35 20.99 2.5390 -2 0 4 35.91 1.26 2.5010 3 2 2 36.45 6.55 2.4651 4 2 1 37.49 3.71 2.3987 -1 4 3 37.74 7.96 2.3834 3 4 1 38.01 12.11 2.3673 -1 2 4 38.11 4.59 2.3615 2 2 3 38.13 5.21 2.3602 2 4 2 39.16 9.65 2.3006 -3 2 4 39.64 1.78 2.2739 5 2 0 39.83 1.17 2.2630 -4 4 2 39.85 1.98 2.2622 -3 4 3 40.06 4.77 2.2510 4 0 2 40.97 1.81 2.2030 0 6 1 41.08 19.49 2.1972 1 4 3 42.64 7.78 2.1204 -2 6 1 42.69 1.24 2.1181 1 2 4 42.76 7.98 2.1148 -6 0 2 44.57 2.05 2.0331 -2 4 4 44.77 2.76 2.0244 2 0 4 44.83 10.34 2.0218 2 6 1 45.00 4.39 2.0147 -6 2 1 45.08 7.05 2.0111 6 0 0 45.29 1.46 2.0022 2 1 4 45.76 1.08 1.9827 -5 2 4 45.94 2.42 1.9753 1 6 2 46.19 3.50 1.9653 0 4 4 46.83 1.11 1.9398 -6 2 3 47.41 11.61 1.9175 -5 4 3 48.14 4.37 1.8902 -4 4 4 48.72 6.21 1.8691 -2 6 3 49.00 5.88 1.8590 -4 2 5 49.24 2.98 1.8506 5 2 2 49.25 6.81 1.8503 0 6 3 49.39 2.54 1.8452 -4 6 1 49.69 12.81 1.8348 5 4 1 51.91 12.13 1.7615 3 2 4 52.87 1.21 1.7317 3 6 2 52.92 2.00 1.7302 6 4 0 52.93 5.62 1.7299 -3 4 5 54.03 3.16 1.6971 0 8 0 54.51 6.83 1.6833 2 6 3 54.85 4.77 1.6738 6 0 2 54.96 1.66 1.6708 7 2 0 55.04 2.69 1.6684 -1 8 1 55.31 6.87 1.6608 -3 6 4 56.03 9.11 1.6414 -6 2 5 56.23 13.27 1.6360 2 2 5 56.31 9.31 1.6337 2 8 0 56.32 1.15 1.6335 -7 2 4 56.95 4.99 1.6170 -1 2 6 57.44 3.96 1.6044 -5 4 5 57.58 4.86 1.6008 0 8 2 57.86 5.10 1.5938 -8 0 2 57.98 6.88 1.5907 -7 4 1 58.00 6.92 1.5902 -2 8 2 58.64 10.86 1.5743 -7 4 3 59.47 5.35 1.5543 -5 2 6 59.95 3.80 1.5431 -6 6 1 60.32 4.80 1.5344 -8 2 3 61.03 3.44 1.5182 -8 0 4 61.06 1.61 1.5176 -1 8 3 61.08 4.09 1.5171 -6 0 6 61.21 2.33 1.5143 -2 6 5 61.23 5.34 1.5137 3 8 1 61.40 1.37 1.5099 5 4 3 61.46 5.94 1.5087 -6 6 3 61.48 5.12 1.5083 8 0 0 61.50 3.41 1.5077 2 8 2 62.21 3.64 1.4922 1 2 6 62.33 3.29 1.4898 -4 4 6 62.72 5.15 1.4814 -4 8 2 62.83 1.47 1.4791 4 8 0 62.87 2.67 1.4782 4 4 4 63.28 6.93 1.4697 -4 6 5 63.37 11.89 1.4677 0 6 5 63.49 3.45 1.4653 6 2 3 63.71 8.83 1.4607 4 6 3 64.31 1.76 1.4485 5 2 4 64.49 4.34 1.4448 7 2 2 64.67 1.03 1.4413 2 0 6 65.95 5.27 1.4164 -2 2 7 66.13 1.82 1.4130 3 4 5 66.96 5.66 1.3974 -7 2 6 67.29 1.01 1.3915 8 2 1 67.50 1.13 1.3877 0 8 4 68.46 3.20 1.3706 -5 8 3 69.03 1.64 1.3605 -4 8 4 69.36 1.69 1.3549 -6 6 5 69.54 3.62 1.3518 2 6 5 69.75 1.10 1.3483 -9 2 4 69.94 1.68 1.3451 6 0 4 70.18 1.32 1.3410 -1 6 6 72.00 2.45 1.3116 -1 10 2 72.94 6.48 1.2970 6 8 0 73.61 5.24 1.2869 -9 4 1 73.64 1.26 1.2864 3 10 0 74.66 1.10 1.2713 -10 0 2 75.68 1.26 1.2567 -6 8 4 76.06 1.72 1.2514 -3 2 8 76.11 2.46 1.2506 6 6 3 76.87 1.49 1.2401 5 6 4 77.25 1.35 1.2350 -7 8 1 77.43 1.41 1.2325 8 4 2 77.52 4.03 1.2313 -5 2 8 77.69 1.04 1.2291 -9 4 5 77.99 1.04 1.2251 5 4 5 78.18 1.55 1.2227 -6 0 8 78.39 1.57 1.2198 -2 6 7 78.71 4.61 1.2157 -4 6 7 79.34 1.15 1.2076 -7 6 6 79.64 1.23 1.2038 8 6 1 79.74 1.01 1.2026 8 2 3 80.28 1.48 1.1959 -1 10 4 80.60 1.12 1.1919 9 4 1 80.71 1.53 1.1906 -10 4 2 81.09 1.28 1.1860 -4 8 6 81.31 1.33 1.1833 5 10 0 81.58 1.40 1.1801 4 8 4 81.78 1.06 1.1777 9 2 2 83.58 1.72 1.1568 5 2 6 84.55 1.14 1.1460 1 2 8 85.89 1.89 1.1315 -8 8 4 85.90 1.67 1.1314 0 12 0 86.73 1.63 1.1228 -1 12 1 87.51 2.22 1.1147 2 0 8 89.07 1.94 1.0992 2 6 7 89.71 1.48 1.0930 -3 12 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.