Hydroxyapophyllite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040095 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 CELL PARAMETERS: 8.9722 8.9722 15.7928 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 2.476 Ca 0.11080 0.24750 0.00000 1.000 0.771 Si 0.22650 0.08640 0.18964 1.000 0.675 O 0.86370 0.36370 0.25000 1.000 0.879 O 0.08640 0.18900 0.21660 1.000 1.283 O 0.26570 0.10250 0.09250 1.000 1.136 O 0.21520 0.45040 0.08890 1.000 1.849 OH 0.00000 0.00000 0.00000 1.000 1.011 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: 7.304831585 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.21 1.68 7.8964 0 0 2 11.34 100.00 7.8011 1 0 1 13.96 8.56 6.3443 1 1 0 19.55 36.15 4.5404 1 0 3 19.79 31.25 4.4861 2 0 0 22.15 4.88 4.0125 2 1 0 22.52 18.87 3.9482 0 0 4 22.80 2.31 3.9006 2 0 2 22.87 41.36 3.8889 2 1 1 24.89 73.41 3.5772 2 1 2 26.59 11.30 3.3521 1 1 4 28.13 38.82 3.1722 2 2 0 29.99 47.83 2.9793 1 0 5 30.37 6.14 2.9435 2 2 2 30.42 29.37 2.9385 3 0 1 31.53 1.61 2.8373 3 1 0 31.80 6.63 2.8143 2 1 4 32.05 6.09 2.7926 3 1 1 33.56 17.09 2.6701 3 1 2 35.96 74.48 2.4976 3 1 3 36.19 45.39 2.4819 2 1 5 36.33 3.32 2.4729 2 2 4 36.97 8.04 2.4312 1 1 6 37.91 3.81 2.3734 3 2 2 40.08 1.61 2.2498 3 2 3 41.01 5.94 2.2009 2 1 6 41.26 2.38 2.1880 1 0 7 41.59 2.89 2.1717 3 0 5 41.87 7.73 2.1577 4 0 2 41.91 4.62 2.1557 4 1 1 42.84 19.80 2.1107 3 1 5 42.96 19.35 2.1052 3 2 4 43.12 1.48 2.0979 4 1 2 44.34 2.96 2.0428 3 3 2 44.74 1.73 2.0256 2 2 6 45.20 34.50 2.0062 4 2 0 45.58 1.78 1.9902 4 2 1 46.72 1.99 1.9445 4 2 2 47.72 2.51 1.9058 4 1 4 50.96 2.39 1.7920 4 1 5 51.07 5.00 1.7886 4 2 4 51.24 2.84 1.7830 5 0 1 51.24 3.17 1.7830 4 3 1 51.60 4.33 1.7713 2 1 8 51.77 17.07 1.7659 3 1 7 51.97 1.10 1.7596 5 1 0 52.28 2.90 1.7498 4 3 2 52.31 2.26 1.7488 5 1 1 53.19 1.11 1.7221 1 0 9 53.69 1.04 1.7072 4 0 6 53.99 2.07 1.6985 4 3 3 54.16 1.49 1.6935 4 2 5 54.73 2.90 1.6771 4 1 6 54.77 2.79 1.6760 2 2 8 55.03 2.44 1.6688 5 1 3 55.46 9.89 1.6569 5 2 1 56.45 2.56 1.6302 5 2 2 56.82 3.33 1.6205 3 1 8 57.31 1.64 1.6077 2 1 9 57.33 3.56 1.6072 5 1 4 57.78 3.71 1.5956 4 2 6 58.07 2.83 1.5884 5 2 3 58.16 3.03 1.5861 4 4 0 58.44 8.78 1.5793 0 0 10 59.44 1.03 1.5550 4 4 2 59.80 11.19 1.5465 3 2 8 60.29 2.53 1.5350 5 2 4 60.45 1.65 1.5315 5 3 1 61.24 1.28 1.5135 3 0 9 62.07 6.26 1.4954 6 0 0 62.20 5.03 1.4924 3 1 9 62.93 5.68 1.4769 5 3 3 63.09 4.57 1.4736 5 2 5 63.33 2.67 1.4686 6 1 1 63.61 2.03 1.4628 5 1 6 63.64 4.14 1.4621 4 1 8 64.24 1.59 1.4499 6 1 2 65.83 3.69 1.4186 6 2 0 66.09 1.88 1.4138 2 2 10 67.06 3.72 1.3957 5 4 1 67.51 1.23 1.3875 5 1 7 67.83 1.26 1.3817 6 1 4 67.94 1.05 1.3797 5 4 2 69.15 1.80 1.3585 4 4 6 69.54 2.19 1.3518 2 1 11 70.23 1.31 1.3403 5 2 7 70.46 1.86 1.3365 6 1 5 70.95 1.18 1.3284 5 3 6 71.42 1.50 1.3208 4 2 9 71.72 1.10 1.3161 0 0 12 73.61 1.54 1.2868 6 1 6 74.00 3.14 1.2810 3 1 11 74.01 5.43 1.2808 5 4 5 74.53 3.29 1.2732 5 2 8 74.67 2.63 1.2712 5 3 7 74.97 1.01 1.2668 6 3 4 75.96 2.40 1.2528 5 5 2 75.96 3.42 1.2528 7 1 2 76.49 1.72 1.2454 7 0 3 76.81 6.34 1.2409 4 2 10 77.69 1.77 1.2291 6 4 2 78.56 1.56 1.2177 7 2 2 80.08 1.30 1.1984 4 1 11 80.44 1.13 1.1939 3 1 12 80.56 1.64 1.1924 6 3 6 80.95 2.32 1.1877 7 0 5 84.22 5.45 1.1497 7 3 3 87.08 2.55 1.1191 4 4 10 87.31 4.31 1.1168 3 1 13 87.37 1.02 1.1161 7 2 6 87.94 1.06 1.1104 8 0 2 88.68 1.47 1.1030 6 5 4 88.94 1.14 1.1004 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.