Erythrite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050073 Wildner M, Giester G, Lengauer C L, McCammon C A European Journal of Mineralogy 8 (1996) 187-192 Structure and crystal chemistry of vivianite-type compounds: Crystal structures of erythrite and annabergite with a Mossbauer study of erythrite CELL PARAMETERS: 10.2730 13.4342 4.7543 90.000 105.110 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Co 0.00000 0.00000 0.00000 1.000 0.997 Co 0.00000 0.38512 0.00000 0.505 1.059 Fe 0.00000 0.38512 0.00000 0.370 1.059 Ni 0.00000 0.38512 0.00000 0.125 1.059 As 0.31621 0.00000 0.37235 1.000 0.870 O 0.14930 0.00000 0.37480 1.000 1.129 O 0.40570 0.00000 0.72260 1.000 1.133 O 0.34330 0.10670 0.20870 1.000 1.185 O 0.09780 0.11370 0.80670 1.000 1.416 O 0.39950 0.22730 0.71330 1.000 1.792 H 0.11900 0.09100 0.65700 1.000 1.232 H 0.16300 0.12700 0.90200 1.000 2.416 H 0.36800 0.20800 0.53600 1.000 3.664 H 0.44800 0.28200 0.71400 1.000 3.285 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: 30.98146388 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.09 35.64 7.9790 1 1 0 13.18 100.00 6.7171 0 2 0 17.89 8.79 4.9589 2 0 0 19.34 2.93 4.5899 0 0 1 20.20 16.75 4.3971 -1 1 1 21.78 4.19 4.0813 1 3 0 22.28 2.42 3.9895 2 2 0 22.71 12.02 3.9155 -2 0 1 24.31 6.44 3.6606 1 1 1 26.35 1.05 3.3827 -2 2 1 26.54 2.53 3.3586 0 4 0 27.65 37.42 3.2267 -1 3 1 27.79 8.38 3.2102 3 1 0 29.65 19.97 3.0131 -3 1 1 29.77 25.65 3.0010 2 0 1 32.19 6.20 2.7808 2 4 0 32.68 25.04 2.7400 2 2 1 33.05 20.03 2.7104 0 4 1 33.70 15.42 2.6597 3 3 0 35.21 6.42 2.5492 -2 4 1 36.42 16.90 2.4669 -4 0 1 38.48 5.27 2.3397 -1 1 2 38.70 15.04 2.3268 -1 5 1 38.70 1.87 2.3267 -2 0 2 38.89 6.32 2.3157 -4 2 1 40.28 1.35 2.2390 0 6 0 40.30 2.09 2.2378 2 4 1 41.05 5.67 2.1985 -2 2 2 41.13 3.38 2.1947 1 5 1 43.25 3.31 2.0921 1 1 2 43.40 10.57 2.0851 3 5 0 44.39 1.13 2.0407 2 6 0 45.05 1.98 2.0124 0 6 1 45.63 2.96 1.9882 -4 4 1 46.27 3.91 1.9623 5 1 0 46.38 1.32 1.9577 -4 0 2 46.53 4.42 1.9517 -3 3 2 47.49 10.30 1.9146 1 3 2 47.81 1.52 1.9023 2 0 2 49.44 2.90 1.8436 -5 3 1 50.88 1.08 1.7946 2 6 1 51.00 1.17 1.7907 3 5 1 51.51 2.46 1.7742 -1 7 1 53.81 1.26 1.7035 4 4 1 54.23 3.40 1.6914 -4 4 2 54.37 4.98 1.6875 -3 5 2 54.66 7.60 1.6793 0 8 0 55.22 8.84 1.6633 1 5 2 55.35 1.01 1.6598 3 7 0 55.42 1.23 1.6580 -4 6 1 55.47 1.73 1.6565 5 1 1 55.52 2.35 1.6552 2 4 2 55.60 2.23 1.6530 6 0 0 56.70 2.72 1.6236 -5 3 2 56.98 3.33 1.6161 -5 5 1 57.09 1.06 1.6133 -2 6 2 57.41 3.27 1.6051 6 2 0 57.77 1.21 1.5958 5 5 0 59.06 4.34 1.5641 5 3 1 59.82 3.45 1.5459 -6 0 2 59.94 1.07 1.5433 -2 8 1 60.51 1.80 1.5300 0 0 3 61.00 4.04 1.5190 -6 4 1 61.56 1.11 1.5065 -6 2 2 61.83 4.40 1.5005 4 0 2 62.18 1.25 1.4930 -1 7 2 62.23 1.37 1.4918 0 2 3 62.47 1.03 1.4867 -4 0 3 62.50 2.03 1.4860 -1 3 3 63.08 1.10 1.4738 -4 6 2 63.47 1.55 1.4657 -3 3 3 63.48 4.28 1.4654 2 8 1 63.53 1.69 1.4644 4 2 2 63.66 1.60 1.4617 -5 5 2 64.16 1.08 1.4516 -4 2 3 64.36 1.50 1.4475 1 1 3 65.15 2.88 1.4318 -2 4 3 65.65 1.23 1.4221 1 7 2 65.87 2.95 1.4179 5 5 1 67.24 1.16 1.3923 0 4 3 67.47 2.91 1.3882 -4 8 1 68.97 1.04 1.3617 -2 8 2 69.13 2.06 1.3589 -1 5 3 69.60 1.36 1.3508 7 3 0 69.99 1.99 1.3442 -3 9 1 70.04 2.31 1.3434 0 10 0 70.04 2.31 1.3433 -3 5 3 73.61 1.28 1.2867 -7 5 1 75.55 1.62 1.2586 7 1 1 75.92 1.77 1.2533 7 5 0 77.91 2.00 1.2262 2 10 1 78.37 1.24 1.2202 3 3 3 80.92 1.40 1.1880 -2 0 4 81.60 1.19 1.1798 -4 10 1 81.75 1.16 1.1780 6 8 0 82.72 1.18 1.1666 -7 3 3 84.47 1.26 1.1469 3 5 3 85.35 1.48 1.1374 -6 8 2 87.10 2.00 1.1189 4 8 2 88.78 1.03 1.1021 -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.