Armalcolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110188 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, after heating _database_code_amcsd 0000593 CELL PARAMETERS: 9.7597 9.9789 3.7478 90.000 90.000 90.000 SPACE GROUP: Bbmm ATOM X Y Z OCCUPANCY ISO(B) Fe 0.80703 0.25000 0.00000 0.367 0.879 Mg 0.80703 0.25000 0.00000 0.367 0.879 Ti 0.80703 0.25000 0.00000 0.266 0.879 Fe 0.13428 0.43494 0.00000 0.066 0.688 Mg 0.13428 0.43494 0.00000 0.066 0.688 Ti 0.13428 0.43494 0.00000 0.867 0.688 O 0.22370 0.25000 0.00000 1.000 0.840 O 0.04540 0.88410 0.00000 1.000 0.966 O 0.31210 0.93510 0.00000 1.000 0.989 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: 25.55296739 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.78 12.18 4.9894 0 2 0 18.18 36.55 4.8798 2 0 0 20.26 2.32 4.3838 2 1 0 25.46 100.00 3.4987 1 0 1 25.53 7.81 3.4887 2 2 0 27.01 3.77 3.3017 1 1 1 31.22 4.22 2.8646 1 2 1 32.58 69.15 2.7485 2 3 0 36.58 17.85 2.4568 3 0 1 36.84 5.82 2.4399 4 0 0 37.30 19.79 2.4107 1 3 1 37.71 1.72 2.3855 3 1 1 40.62 13.20 2.2213 2 4 0 40.95 1.26 2.2041 3 2 1 41.18 15.22 2.1919 4 2 0 45.92 4.31 1.9762 3 3 1 46.14 18.67 1.9674 4 3 0 48.59 31.70 1.8739 0 0 2 49.33 9.71 1.8473 2 5 0 52.26 8.06 1.7505 3 4 1 52.30 3.16 1.7494 2 0 2 53.74 1.56 1.7057 5 1 1 55.23 11.74 1.6631 0 6 0 55.68 1.37 1.6508 2 2 2 56.24 17.14 1.6356 5 2 1 56.58 1.67 1.6266 6 0 0 57.40 3.83 1.6054 6 1 0 58.64 2.77 1.5742 2 6 0 59.69 7.76 1.5491 3 5 1 59.72 18.67 1.5483 2 3 2 60.27 15.59 1.5357 5 3 1 61.76 5.27 1.5021 1 6 1 62.49 2.23 1.4862 4 0 2 63.68 2.01 1.4613 6 3 0 65.13 4.25 1.4323 2 4 2 65.54 5.76 1.4243 4 2 2 65.64 2.69 1.4223 5 4 1 68.08 5.28 1.3772 3 6 1 68.25 1.03 1.3743 4 6 0 68.58 1.89 1.3684 2 7 0 69.24 7.71 1.3569 4 3 2 71.46 1.55 1.3202 1 7 1 71.75 4.55 1.3155 2 5 2 73.02 4.01 1.2957 7 1 1 75.16 6.17 1.2641 7 2 1 75.38 1.67 1.2609 6 5 0 76.60 6.67 1.2439 0 6 2 76.94 2.39 1.2392 1 0 3 77.74 1.02 1.2284 6 0 2 78.44 2.47 1.2192 6 1 2 79.52 1.71 1.2053 2 6 2 81.16 1.35 1.1851 8 2 0 82.76 1.45 1.1662 3 0 3 83.20 1.91 1.1612 1 3 3 83.98 1.50 1.1523 6 3 2 87.91 2.36 1.1106 4 8 0 88.47 1.56 1.1051 2 7 2 89.69 2.13 1.0933 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.