Koritnigite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060654 Keller P, Hess H, Riffel H Neues Jahrbuch fur Mineralogie, Abhandlungen 138 (1980) 316-332 Die kristallstruktur von koritnigit, Zn[H2O|HOAsO3] Locality: Tsumeb, Namibia CELL PARAMETERS: 7.8950 15.7500 6.6300 90.510 96.570 89.990 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Zn 0.09620 0.06410 0.37500 1.000 0.780 Zn 0.13600 0.45920 0.36260 1.000 0.910 Zn 0.40460 0.56410 0.12940 1.000 0.800 Zn 0.36400 0.95970 0.13510 1.000 0.930 As 0.08690 0.10490 0.88400 1.000 0.720 As 0.18050 0.41750 0.86040 1.000 0.690 As 0.41460 0.60490 0.62270 1.000 0.720 As 0.31810 0.91710 0.63410 1.000 0.690 O 0.05940 0.04610 0.67610 1.000 1.040 O 0.17270 0.05210 0.08780 1.000 1.020 O 0.21940 0.17900 0.43610 1.000 1.340 O 0.32830 0.55250 0.41450 1.000 1.070 O 0.09020 0.47520 0.66660 1.000 1.180 O 0.38540 0.36460 0.42680 1.000 1.260 O 0.03940 0.33870 0.35740 1.000 1.850 O 0.19620 0.47520 0.07400 1.000 0.940 O 0.28400 0.67940 0.07540 1.000 1.280 O 0.30440 0.97690 0.42500 1.000 0.840 O 0.45960 0.83990 0.13190 1.000 1.690 O 0.11330 0.86440 0.06450 1.000 1.400 O 0.19920 0.19160 0.84080 1.000 1.330 O 0.05140 0.33200 0.88980 1.000 1.440 O 0.36200 0.37300 0.80480 1.000 1.020 O 0.44180 0.54400 0.82710 1.000 1.000 O 0.30380 0.69130 0.67090 1.000 1.330 O 0.13540 0.87340 0.68740 1.000 1.150 O 0.40950 0.97280 0.83150 1.000 1.170 O 0.44490 0.83120 0.59720 1.000 1.550 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 14 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 59.03605361 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.24 100.00 7.8747 0 2 0 12.60 3.47 7.0231 -1 1 0 12.61 3.39 7.0184 1 1 0 17.46 1.12 5.0799 -1 -1 1 17.53 1.18 5.0592 -1 1 1 20.36 1.02 4.3610 1 3 0 21.68 2.59 4.0998 1 -2 1 21.81 2.96 4.0744 1 2 1 22.58 4.15 3.9373 0 4 0 23.37 9.10 3.8061 -2 1 0 23.38 9.48 3.8046 2 1 0 25.30 1.69 3.5200 -1 4 0 25.32 1.65 3.5176 1 4 0 27.62 10.84 3.2292 0 -1 2 27.72 13.21 3.2176 0 1 2 28.40 17.57 3.1431 -2 3 0 28.42 17.52 3.1405 2 3 0 29.28 6.36 3.0500 1 -4 1 29.49 6.12 3.0291 1 4 1 30.32 1.06 2.9479 -1 -2 2 30.50 1.13 2.9311 -1 2 2 30.58 2.90 2.9238 -1 5 0 30.59 2.97 2.9221 1 5 0 31.95 12.76 2.8010 0 -3 2 32.22 11.40 2.7785 0 3 2 33.47 11.18 2.6772 -2 0 2 34.16 2.08 2.6249 0 6 0 34.78 1.00 2.5794 -3 1 0 34.79 1.05 2.5787 3 1 0 35.34 2.39 2.5399 -2 -2 2 35.49 2.01 2.5296 -2 2 2 36.58 5.71 2.4568 -2 5 0 36.61 5.72 2.4548 2 5 0 37.62 6.68 2.3907 2 0 2 38.45 1.52 2.3410 -3 3 0 38.48 1.48 2.3395 3 3 0 39.31 1.15 2.2921 2 -2 2 41.42 1.01 2.1799 -1 0 3 41.44 2.14 2.1788 -3 4 0 41.48 2.11 2.1771 3 4 0 43.53 2.52 2.0792 -1 -7 1 43.75 2.43 2.0693 -1 7 1 46.11 1.23 1.9687 0 8 0 46.30 2.70 1.9608 4 0 0 47.50 1.09 1.9141 -1 -4 3 47.71 1.28 1.9061 -3 -4 2 47.79 1.22 1.9031 -4 2 0 47.81 1.18 1.9023 4 2 0 47.87 1.10 1.9002 -1 4 3 47.94 1.31 1.8978 -3 4 2 48.37 1.23 1.8819 3 -5 1 48.56 1.25 1.8748 3 5 1 48.75 1.01 1.8681 -2 6 2 50.94 1.32 1.7926 -3 -5 2 51.21 1.36 1.7839 -3 5 2 51.52 1.26 1.7737 2 -6 2 51.91 1.24 1.7614 2 6 2 53.47 1.17 1.7138 1 5 3 54.46 1.12 1.6848 -4 -3 2 54.61 1.15 1.6807 -4 3 2 55.84 4.80 1.6465 0 0 4 56.64 1.17 1.6250 3 -7 1 56.89 1.12 1.6186 3 7 1 57.04 1.29 1.6146 0 -2 4 60.80 1.45 1.5235 1 -7 3 60.95 1.18 1.5202 -2 -3 4 61.25 1.12 1.5132 -2 3 4 61.38 1.44 1.5105 1 7 3 61.90 1.37 1.4990 1 -10 1 62.19 1.32 1.4928 1 10 1 66.32 1.69 1.4094 2 -3 4 66.64 1.62 1.4034 2 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.