Agardite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050541 Hess H Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 385-392 Die kristallstruktur des chlorotils, SECu6(AsO4)3(OH)6*3H2O (SE = seltene erdmetalle) Locality: Clara mine, Black Forest, Baden-Wurttemberg, Germany _database_code_amcsd 0014774 CELL PARAMETERS: 13.2200 13.2200 5.8591 90.000 90.000 120.000 SPACE GROUP: P6_3/m ATOM X Y Z OCCUPANCY ISO(B) Ce 0.66667 0.33333 0.25000 0.707 0.708 Cu 0.41091 0.31377 0.50230 1.000 0.883 As 0.49393 0.14946 0.75000 1.000 0.596 O 0.57280 0.17920 0.51720 1.000 1.107 O 0.39140 0.39900 0.25000 1.000 1.089 O 0.41320 0.21370 0.75000 1.000 0.947 OH 0.36920 0.37650 0.75000 1.000 1.064 OH 0.43880 0.24320 0.25000 1.000 1.491 Wa 0.16440 0.15510 0.46140 0.500 1.733 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 10 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 105.6618188 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.72 100.00 11.4489 1 0 0 17.00 1.85 5.2158 1 0 1 20.25 3.37 4.3846 1 1 1 20.52 13.63 4.3273 1 2 0 21.70 4.14 4.0946 2 0 1 23.31 2.05 3.8163 3 0 0 25.59 17.41 3.4808 1 2 1 25.59 2.62 3.4808 2 1 1 26.98 5.54 3.3050 2 2 0 28.10 1.16 3.1753 1 3 0 28.10 7.60 3.1753 3 1 0 31.07 9.30 2.8786 2 2 1 31.25 10.00 2.8622 4 0 0 31.52 1.55 2.8381 1 0 2 32.06 3.46 2.7917 3 1 1 33.46 2.69 2.6783 1 1 2 34.14 5.55 2.6265 2 3 0 34.14 3.27 2.6265 3 2 0 35.95 10.59 2.4983 4 1 0 37.06 16.10 2.4259 1 2 2 37.06 11.17 2.4259 2 1 2 37.53 3.59 2.3967 2 3 1 41.18 1.90 2.1923 2 2 2 44.04 2.58 2.0563 5 1 0 44.24 1.28 2.0473 4 0 2 44.65 1.34 2.0297 2 4 1 46.43 1.50 1.9556 2 3 2 48.36 1.88 1.8822 4 3 0 50.96 1.81 1.7920 4 3 1 51.33 2.67 1.7801 1 2 3 51.93 2.73 1.7609 3 3 2 52.58 4.50 1.7404 2 4 2 52.58 2.15 1.7404 4 2 2 54.52 5.53 1.6831 1 5 2 55.22 1.16 1.6636 3 1 3 55.62 1.38 1.6525 4 4 0 56.24 1.28 1.6356 3 5 0 57.65 4.38 1.5989 6 0 2 57.99 1.03 1.5905 4 4 1 58.27 2.83 1.5835 3 4 2 58.60 1.40 1.5753 3 5 1 59.48 2.35 1.5541 5 2 2 61.11 1.50 1.5164 7 1 0 61.86 3.02 1.4998 6 1 2 63.51 2.98 1.4648 0 0 4 64.77 2.94 1.4393 4 4 2 65.34 1.19 1.4281 7 0 2 66.89 1.53 1.3987 2 7 0 66.89 1.02 1.3987 7 2 0 72.49 1.15 1.3039 4 0 4 75.19 1.94 1.2636 4 1 4 79.55 1.21 1.2050 5 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.