Apophyllite-(KOH) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110121 Rouse R C, Peacor D R, Dunn P J American Mineralogist 63 (1978) 196-202 Hydroxyapophyllite, a new mineral, and a redefinition of the apophyllite group II. Crystal structure Note: sample is from Kimberley, South Africa _database_code_amcsd 0000617 CELL PARAMETERS: 8.9980 8.9980 15.8210 90.000 90.000 90.000 SPACE GROUP: P4/mnc ATOM X Y Z OCCUPANCY ISO(B) K 0.00000 0.00000 0.50000 1.000 2.487 Ca 0.11080 0.24750 0.00000 1.000 0.775 Si 0.22650 0.08640 0.18964 1.000 0.679 O 0.86370 0.36370 0.25000 1.000 0.883 O 0.08640 0.18900 0.21660 1.000 1.290 O 0.26570 0.10250 0.09250 1.000 1.142 O 0.21520 0.45040 0.08890 1.000 1.859 OH 0.00000 0.00000 0.00000 1.000 1.015 H 0.45300 0.13500 0.10600 1.000 6.800 H 0.21400 0.43200 0.13400 1.000 0.600 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 14 MAX. ABS. INTENSITY / VOLUME**2: 7.237963272 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.19 1.68 7.9105 0 0 2 11.31 100.00 7.8215 1 0 1 13.92 8.56 6.3625 1 1 0 19.51 36.13 4.5498 1 0 3 19.73 31.29 4.4990 2 0 0 22.09 4.89 4.0240 2 1 0 22.48 18.85 3.9553 0 0 4 22.74 2.32 3.9108 2 0 2 22.80 41.41 3.8999 2 1 1 24.82 73.51 3.5866 2 1 2 26.54 11.31 3.3591 1 1 4 28.05 38.92 3.1813 2 2 0 29.93 47.82 2.9850 1 0 5 30.28 6.15 2.9515 2 2 2 30.33 29.46 2.9468 3 0 1 31.44 1.61 2.8454 3 1 0 31.72 6.63 2.8208 2 1 4 31.96 6.12 2.8005 3 1 1 33.47 17.14 2.6775 3 1 2 35.86 74.64 2.5042 3 1 3 36.11 45.44 2.4873 2 1 5 36.24 3.33 2.4789 2 2 4 36.90 8.05 2.4359 1 1 6 37.80 3.81 2.3800 3 2 2 39.97 1.62 2.2558 3 2 3 40.92 5.95 2.2055 2 1 6 41.18 2.39 2.1920 1 0 7 41.48 2.89 2.1768 3 0 5 41.75 7.77 2.1637 4 0 2 41.78 4.63 2.1619 4 1 1 42.74 19.88 2.1158 3 1 5 42.85 19.41 2.1106 3 2 4 42.99 1.48 2.1037 4 1 2 44.21 2.97 2.0485 3 3 2 44.64 1.74 2.0301 2 2 6 45.06 34.65 2.0120 4 2 0 45.44 1.79 1.9959 4 2 1 46.58 2.00 1.9499 4 2 2 47.59 2.52 1.9108 4 1 4 50.82 2.40 1.7965 4 1 5 50.92 5.02 1.7933 4 2 4 51.08 2.85 1.7881 5 0 1 51.08 3.19 1.7881 4 3 1 51.49 4.33 1.7749 2 1 8 51.65 17.10 1.7698 3 1 7 51.81 1.10 1.7647 5 1 0 52.12 2.92 1.7548 4 3 2 52.15 2.27 1.7538 5 1 1 53.08 1.11 1.7253 1 0 9 53.55 1.05 1.7114 4 0 6 53.83 2.07 1.7032 4 3 3 54.01 1.49 1.6978 4 2 5 54.59 2.91 1.6812 4 1 6 54.65 2.80 1.6795 2 2 8 54.86 2.45 1.6735 5 1 3 55.28 9.94 1.6616 5 2 1 56.27 2.57 1.6348 5 2 2 56.68 3.34 1.6239 3 1 8 57.16 3.58 1.6115 5 1 4 57.18 1.64 1.6109 2 1 9 57.63 3.72 1.5995 4 2 6 57.89 2.84 1.5928 5 2 3 57.98 3.04 1.5906 4 4 0 58.32 8.78 1.5821 0 0 10 59.26 1.03 1.5594 4 4 2 59.65 11.21 1.5500 3 2 8 60.11 2.55 1.5392 5 2 4 60.26 1.67 1.5359 5 3 1 61.10 1.28 1.5166 3 0 9 61.87 6.29 1.4997 6 0 0 62.06 5.04 1.4955 3 1 9 62.73 5.71 1.4810 5 3 3 62.90 4.59 1.4775 5 2 5 63.12 2.68 1.4728 6 1 1 63.43 2.04 1.4665 5 1 6 63.48 4.15 1.4654 4 1 8 64.04 1.60 1.4541 6 1 2 65.62 3.71 1.4227 6 2 0 65.94 1.88 1.4166 2 2 10 66.84 3.74 1.3997 5 4 1 67.32 1.23 1.3909 5 1 7 67.62 1.27 1.3855 6 1 4 67.72 1.05 1.3836 5 4 2 68.95 1.80 1.3620 4 4 6 69.39 2.19 1.3544 2 1 11 70.03 1.32 1.3436 5 2 7 70.24 1.86 1.3401 6 1 5 70.74 1.19 1.3318 5 3 6 71.23 1.51 1.3238 4 2 9 71.57 1.10 1.3184 0 0 12 73.39 1.55 1.2901 6 1 6 73.78 5.45 1.2843 5 4 5 73.82 3.14 1.2836 3 1 11 74.32 3.30 1.2763 5 2 8 74.45 2.64 1.2744 5 3 7 74.73 1.01 1.2703 6 3 4 75.70 2.42 1.2564 5 5 2 75.70 3.44 1.2564 7 1 2 76.24 1.73 1.2489 7 0 3 76.61 6.35 1.2437 4 2 10 77.43 1.77 1.2326 6 4 2 78.29 1.57 1.2212 7 2 2 79.87 1.31 1.2009 4 1 11 80.25 1.13 1.1962 3 1 12 80.31 1.64 1.1955 6 3 6 80.68 2.33 1.1909 7 0 5 83.93 5.46 1.1529 7 3 3 86.83 2.55 1.1217 4 4 10 87.08 1.02 1.1191 7 2 6 87.10 4.30 1.1190 3 1 13 87.63 1.06 1.1136 8 0 2 88.37 1.48 1.1061 6 5 4 88.71 1.14 1.1028 4 2 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.