Milarite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070373 Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D American Mineralogist 76 (1991) 1836-1856 The crystal chemistry of the milarite-group minerals sample #25 from Guanajuato Note: U(1,2) of WatB/NaB changed to match symmetry constraints CELL PARAMETERS: 10.4091 10.4091 13.8290 90.000 90.000 120.000 SPACE GROUP: P6/mcc ATOM X Y Z OCCUPANCY ISO(B) Ca 0.33333 0.66667 0.24370 0.500 1.492 Na 0.33333 0.66667 0.04040 0.047 5.435 Wa 0.33333 0.66667 0.04040 0.167 5.435 K 0.00000 0.00000 0.25000 1.000 1.621 Si 0.08239 0.33642 0.11217 1.000 0.752 Al 0.00000 0.50000 0.25000 0.270 0.742 Be 0.00000 0.50000 0.25000 0.730 0.742 O 0.09540 0.38350 0.00000 1.000 1.534 O 0.19570 0.27610 0.13420 1.000 1.390 O 0.11600 0.47300 0.18040 1.000 1.007 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 9.309460211 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.81 3.82 9.0145 1 0 0 12.80 31.25 6.9145 0 0 2 16.16 7.27 5.4864 1 0 2 17.04 43.25 5.2045 1 1 0 19.70 24.65 4.5073 2 0 0 21.37 47.78 4.1582 1 1 2 23.56 21.55 3.7759 2 0 2 25.77 22.98 3.4573 0 0 4 26.95 100.00 3.3082 2 1 1 27.63 17.95 3.2280 1 0 4 29.22 1.69 3.0563 2 1 2 29.73 27.58 3.0048 3 0 0 31.05 71.11 2.8798 1 1 4 32.64 28.07 2.7432 2 0 4 32.68 15.31 2.7400 2 1 3 34.46 12.27 2.6023 2 2 0 35.92 7.87 2.5002 3 1 0 36.52 12.45 2.4603 3 1 1 36.91 6.21 2.4355 2 2 2 39.74 1.35 2.2679 3 0 4 41.07 5.25 2.1977 3 1 3 42.91 3.91 2.1074 1 1 6 43.53 1.66 2.0791 2 2 4 44.29 3.82 2.0453 3 2 1 44.73 11.28 2.0259 3 1 4 46.15 9.40 1.9671 4 1 0 46.64 3.78 1.9475 4 1 1 48.09 11.43 1.8921 4 1 2 48.23 1.67 1.8869 3 2 3 49.12 16.89 1.8547 3 1 5 49.86 5.77 1.8288 3 0 6 50.63 10.30 1.8029 5 0 0 52.97 6.83 1.7286 0 0 8 53.08 7.98 1.7254 2 2 6 53.60 6.44 1.7097 4 1 4 53.81 1.30 1.7036 4 2 0 54.01 2.08 1.6977 1 0 8 54.25 8.57 1.6908 4 2 1 54.54 1.18 1.6827 3 3 2 57.06 3.52 1.6140 2 0 8 57.17 1.43 1.6114 4 0 6 57.49 1.32 1.6030 4 1 5 57.66 2.91 1.5986 5 0 4 57.69 1.32 1.5980 4 2 3 59.63 5.53 1.5506 3 3 4 60.11 1.10 1.5393 3 2 6 60.62 1.67 1.5276 5 1 3 61.93 5.28 1.4984 3 0 8 63.35 4.05 1.4682 6 0 2 64.21 7.01 1.4505 4 2 5 64.56 10.80 1.4435 5 2 0 64.74 5.58 1.4399 2 2 8 64.96 1.61 1.4357 5 2 1 66.24 1.32 1.4109 4 3 3 66.79 2.01 1.4007 2 1 9 67.15 1.91 1.3939 4 1 7 67.58 1.02 1.3861 3 3 6 68.04 5.30 1.3779 6 0 4 68.60 1.99 1.3680 6 1 1 70.45 2.85 1.3365 1 1 10 70.73 2.62 1.3320 5 2 4 72.16 9.83 1.3091 3 1 9 73.54 1.80 1.2878 7 0 0 74.16 1.06 1.2787 4 4 2 76.15 1.70 1.2501 6 2 0 76.52 3.51 1.2450 6 2 1 77.55 3.14 1.2310 6 1 5 78.12 4.52 1.2234 5 2 6 78.29 1.04 1.2212 2 2 10 78.55 6.22 1.2178 4 4 4 78.89 1.95 1.2134 4 2 8 79.41 1.31 1.2068 7 0 4 79.43 3.54 1.2065 6 2 3 81.63 1.88 1.1795 2 1 11 81.96 1.02 1.1756 6 2 4 85.01 3.75 1.1410 4 2 9 86.17 1.55 1.1286 7 1 4 86.50 1.38 1.1251 4 3 8 88.18 7.35 1.1080 5 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.