Kottigite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110035 Hill R J American Mineralogist 64 (1979) 376-382 The crystal structure of kottigite Locality: Schneeberg, Germany _database_code_amcsd 0000711 CELL PARAMETERS: 10.2960 13.4570 4.7650 90.000 105.240 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Zn 0.00000 0.00000 0.00000 1.000 0.908 Zn 0.00000 0.38521 0.00000 1.000 0.942 As 0.31541 0.00000 0.37440 1.000 0.634 O 0.14980 0.00000 0.37540 1.000 0.795 O 0.40490 0.00000 0.72260 1.000 1.082 O 0.34320 0.10660 0.21350 1.000 0.987 O 0.09750 0.11440 0.80810 1.000 1.260 O 0.40000 0.22620 0.71790 1.000 1.543 H 0.38400 0.42500 0.36400 1.000 2.100 H 0.34000 0.37100 0.11900 1.000 4.000 H 0.12100 0.30500 0.43600 1.000 1.700 H 0.04400 0.23600 0.28900 1.000 0.300 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 12 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 33.56192106 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.07 37.02 7.9922 1 1 0 13.16 100.00 6.7285 0 2 0 17.86 12.66 4.9670 2 0 0 19.31 4.88 4.5974 0 0 1 20.14 14.00 4.4084 -1 1 1 21.74 7.24 4.0882 1 3 0 22.25 1.68 3.9961 2 2 0 22.64 15.86 3.9277 -2 0 1 24.29 6.36 3.6642 1 1 1 26.27 1.77 3.3920 -2 2 1 26.49 1.97 3.3642 0 4 0 27.58 39.32 3.2337 -1 3 1 27.74 7.14 3.2154 3 1 0 29.56 20.27 3.0220 -3 1 1 29.75 27.67 3.0033 2 0 1 32.13 6.64 2.7854 2 4 0 32.65 25.53 2.7425 2 2 1 32.99 19.80 2.7150 0 4 1 33.64 16.79 2.6641 3 3 0 34.53 1.43 2.5977 1 5 0 35.12 5.30 2.5551 -2 4 1 35.18 1.10 2.5509 -3 3 1 36.31 18.15 2.4738 -4 0 1 38.39 5.41 2.3448 -1 1 2 38.59 2.62 2.3329 -2 0 2 38.62 16.28 2.3313 -1 5 1 38.78 6.59 2.3219 -4 2 1 40.21 1.36 2.2428 0 6 0 40.25 2.33 2.2404 2 4 1 40.94 5.94 2.2042 -2 2 2 41.07 4.71 2.1979 1 5 1 41.51 1.36 2.1753 0 2 2 43.19 2.99 2.0946 1 1 2 43.32 11.80 2.0885 3 5 0 44.31 1.12 2.0441 2 6 0 44.97 1.90 2.0158 0 6 1 45.51 2.26 1.9930 -4 4 1 46.19 3.97 1.9655 5 1 0 46.23 1.74 1.9638 -4 0 2 46.40 5.45 1.9571 -3 3 2 47.42 10.75 1.9171 1 3 2 47.77 1.88 1.9041 2 0 2 49.31 3.79 1.8481 -5 3 1 50.81 1.07 1.7970 2 6 1 50.93 1.87 1.7929 3 5 1 51.41 2.48 1.7775 -1 7 1 53.75 1.47 1.7054 4 4 1 54.07 3.47 1.6960 -4 4 2 54.22 6.16 1.6917 -3 5 2 54.56 8.01 1.6821 0 8 0 55.14 9.60 1.6656 1 5 2 55.25 1.01 1.6626 3 7 0 55.29 1.13 1.6616 -4 6 1 55.41 1.52 1.6581 5 1 1 55.45 2.62 1.6571 2 4 2 55.50 2.58 1.6557 6 0 0 56.52 2.98 1.6283 -5 3 2 56.84 4.19 1.6198 -5 5 1 57.31 3.45 1.6077 6 2 0 57.67 1.64 1.5984 5 5 0 58.99 4.75 1.5657 5 3 1 59.63 3.94 1.5506 -6 0 2 59.81 1.52 1.5463 -2 8 1 60.40 2.08 1.5325 0 0 3 60.84 4.10 1.5225 -6 4 1 61.36 1.35 1.5110 -6 2 2 61.78 4.85 1.5016 4 0 2 62.05 1.27 1.4958 -1 7 2 62.12 1.50 1.4942 0 2 3 62.27 1.33 1.4910 -4 0 3 62.37 2.54 1.4889 -1 3 3 62.90 1.03 1.4775 -4 6 2 63.29 1.66 1.4695 -3 3 3 63.38 4.93 1.4676 2 8 1 63.47 1.86 1.4656 -5 5 2 63.47 1.83 1.4656 4 2 2 63.95 1.28 1.4557 -4 2 3 64.26 1.57 1.4494 1 1 3 64.99 3.08 1.4350 -2 4 3 65.54 1.18 1.4242 1 7 2 65.79 3.42 1.4195 5 5 1 67.03 1.08 1.3962 -7 3 1 67.31 3.25 1.3910 -4 8 1 68.81 1.31 1.3644 -2 8 2 68.97 2.71 1.3615 -1 5 3 69.47 1.66 1.3530 7 3 0 69.83 2.13 1.3468 -3 9 1 69.85 2.60 1.3466 -3 5 3 69.90 2.49 1.3457 0 10 0 73.43 1.53 1.2896 -7 5 1 75.45 1.69 1.2599 7 1 1 75.78 2.20 1.2553 7 5 0 77.77 2.21 1.2281 2 10 1 78.27 1.41 1.2214 3 3 3 80.71 1.62 1.1906 -2 0 4 81.30 1.08 1.1834 -1 11 1 81.41 1.38 1.1821 -4 10 1 81.59 1.40 1.1800 6 8 0 82.42 1.45 1.1702 -7 3 3 84.36 1.43 1.1481 3 5 3 85.09 1.78 1.1401 -6 8 2 85.77 1.16 1.1328 0 8 3 86.97 2.29 1.1202 4 8 2 88.46 1.32 1.1052 -7 5 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.