Armalcolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110187 Wechsler B A American Mineralogist 62 (1977) 913-920 Cation distribution and high-temperature crystal chemistry of armalcolite sample Arm-E, T = 24 deg C, before annealing _database_code_amcsd 0000590 CELL PARAMETERS: 9.7115 10.0189 3.7362 90.000 90.000 90.000 SPACE GROUP: Bbmm ATOM X Y Z OCCUPANCY ISO(B) Fe 0.80743 0.25000 0.00000 0.332 0.746 Mg 0.80743 0.25000 0.00000 0.332 0.746 Ti 0.80743 0.25000 0.00000 0.335 0.746 Fe 0.13464 0.43528 0.00000 0.084 0.710 Mg 0.13464 0.43528 0.00000 0.084 0.710 Ti 0.13464 0.43528 0.00000 0.832 0.710 O 0.22430 0.25000 0.00000 1.000 1.209 O 0.04640 0.88460 0.00000 1.000 1.085 O 0.31330 0.93480 0.00000 1.000 0.996 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 9 +/- 3 MAX. ABS. INTENSITY / VOLUME**2: 27.27290264 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.71 11.50 5.0094 0 2 0 18.27 34.62 4.8558 2 0 0 20.32 1.84 4.3696 2 1 0 25.55 92.49 3.4870 1 0 1 25.55 7.51 3.4866 2 2 0 27.08 3.93 3.2933 1 1 1 31.25 3.90 2.8619 1 2 1 32.54 65.72 2.7517 2 3 0 36.73 17.00 2.4466 3 0 1 37.03 5.74 2.4279 4 0 0 37.28 18.94 2.4119 1 3 1 37.85 1.48 2.3767 3 1 1 40.52 12.40 2.2260 2 4 0 41.06 1.21 2.1984 3 2 1 41.32 14.26 2.1848 4 2 0 45.98 3.63 1.9736 3 3 1 46.23 18.18 1.9638 4 3 0 48.75 29.48 1.8681 0 0 2 49.19 9.12 1.8523 2 5 0 52.27 7.78 1.7502 3 4 1 52.48 3.00 1.7435 2 0 2 53.99 1.32 1.6984 5 1 1 54.99 11.25 1.6698 0 6 0 55.83 1.29 1.6466 2 2 2 56.47 15.69 1.6296 5 2 1 56.89 1.64 1.6186 6 0 0 57.69 3.59 1.5979 6 1 0 58.45 2.64 1.5791 2 6 0 59.64 7.21 1.5502 3 5 1 59.84 17.65 1.5456 2 3 2 60.45 14.43 1.5315 5 3 1 61.58 4.96 1.5060 1 6 1 62.76 2.19 1.4806 4 0 2 63.91 1.78 1.4565 6 3 0 65.20 3.92 1.4310 2 4 2 65.77 5.33 1.4198 4 2 2 65.78 2.59 1.4197 5 4 1 67.97 4.96 1.3792 3 6 1 68.32 1.94 1.3729 2 7 0 69.44 7.53 1.3535 4 3 2 71.22 1.68 1.3241 1 7 1 71.76 4.17 1.3153 2 5 2 73.41 3.73 1.2898 7 1 1 75.51 1.67 1.2591 6 5 0 75.53 5.57 1.2589 7 2 1 76.52 6.30 1.2450 0 6 2 77.23 2.19 1.2353 1 0 3 78.13 1.02 1.2233 6 0 2 78.82 2.35 1.2143 6 1 2 79.47 1.61 1.2060 2 6 2 81.60 1.27 1.1798 8 2 0 83.10 1.39 1.1623 3 0 3 83.43 1.87 1.1586 1 3 3 84.31 1.29 1.1487 6 3 2 87.68 2.18 1.1130 4 8 0 88.35 1.59 1.1063 2 7 2 89.93 2.06 1.0909 7 5 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.