Hydroxyapophyllite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050021 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: 8.9672 8.9672 15.8002 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 2.475 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 1.848 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: 7.309232582 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.20 1.69 7.9001 0 0 2 11.35 100.00 7.7987 1 0 1 13.97 8.55 6.3408 1 1 0 19.55 36.19 4.5414 1 0 3 19.80 31.22 4.4836 2 0 0 22.17 4.87 4.0103 2 1 0 22.51 18.91 3.9501 0 0 4 22.81 2.31 3.8994 2 0 2 22.88 41.33 3.8870 2 1 1 24.90 73.39 3.5759 2 1 2 26.59 11.32 3.3527 1 1 4 28.15 38.78 3.1704 2 2 0 29.98 47.92 2.9804 1 0 5 30.38 6.13 2.9423 2 2 2 30.44 29.35 2.9370 3 0 1 31.55 1.60 2.8357 3 1 0 31.80 6.63 2.8142 2 1 4 32.07 6.08 2.7911 3 1 1 33.58 17.08 2.6690 3 1 2 35.97 74.46 2.4968 3 1 3 36.19 45.43 2.4821 2 1 5 36.34 3.32 2.4725 2 2 4 36.96 8.06 2.4320 1 1 6 37.93 3.81 2.3723 3 2 2 40.09 1.61 2.2489 3 2 3 41.00 5.94 2.2012 2 1 6 41.24 2.39 2.1889 1 0 7 41.59 2.89 2.1715 3 0 5 41.89 7.72 2.1566 4 0 2 41.93 4.61 2.1546 4 1 1 42.85 19.81 2.1105 3 1 5 42.97 19.34 2.1046 3 2 4 43.14 1.48 2.0969 4 1 2 44.37 2.95 2.0418 3 3 2 44.74 1.73 2.0257 2 2 6 45.22 34.45 2.0051 4 2 0 45.61 1.78 1.9892 4 2 1 46.74 1.98 1.9435 4 2 2 47.74 2.51 1.9052 4 1 4 50.97 2.39 1.7916 4 1 5 51.08 5.00 1.7880 4 2 4 51.27 2.83 1.7820 5 0 1 51.27 3.17 1.7820 4 3 1 51.58 4.34 1.7718 2 1 8 51.77 17.09 1.7660 3 1 7 52.00 1.10 1.7586 5 1 0 52.31 2.90 1.7489 4 3 2 52.34 2.25 1.7478 5 1 1 53.16 1.11 1.7229 1 0 9 53.70 1.04 1.7070 4 0 6 54.01 2.06 1.6977 4 3 3 54.17 1.49 1.6931 4 2 5 54.74 2.90 1.6769 4 1 6 54.76 2.80 1.6764 2 2 8 55.05 2.44 1.6681 5 1 3 55.49 9.88 1.6560 5 2 1 56.48 2.56 1.6294 5 2 2 56.81 3.34 1.6207 3 1 8 57.29 1.64 1.6082 2 1 9 57.35 3.56 1.6066 5 1 4 57.79 3.71 1.5953 4 2 6 58.10 2.83 1.5877 5 2 3 58.20 3.03 1.5852 4 4 0 58.41 8.80 1.5800 0 0 10 59.47 1.03 1.5542 4 4 2 59.79 11.20 1.5467 3 2 8 60.32 2.53 1.5344 5 2 4 60.49 1.65 1.5306 5 3 1 61.23 1.28 1.5138 3 0 9 62.11 6.25 1.4945 6 0 0 62.19 5.04 1.4927 3 1 9 62.96 5.67 1.4762 5 3 3 63.11 4.57 1.4732 5 2 5 63.37 2.67 1.4678 6 1 1 63.62 2.03 1.4625 5 1 6 63.64 4.15 1.4621 4 1 8 64.28 1.59 1.4492 6 1 2 65.88 3.69 1.4178 6 2 0 66.07 1.89 1.4141 2 2 10 67.10 3.71 1.3950 5 4 1 67.52 1.23 1.3873 5 1 7 67.86 1.26 1.3811 6 1 4 67.98 1.05 1.3789 5 4 2 69.17 1.80 1.3581 4 4 6 69.51 2.19 1.3523 2 1 11 70.24 1.31 1.3400 5 2 7 70.49 1.86 1.3360 6 1 5 70.97 1.18 1.3280 5 3 6 71.42 1.50 1.3209 4 2 9 71.68 1.10 1.3167 0 0 12 73.64 1.54 1.2863 6 1 6 73.97 3.14 1.2814 3 1 11 74.04 5.42 1.2803 5 4 5 74.54 3.29 1.2731 5 2 8 74.69 2.63 1.2709 5 3 7 75.01 1.01 1.2662 6 3 4 76.00 2.40 1.2521 5 5 2 76.00 3.42 1.2521 7 1 2 76.54 1.72 1.2447 7 0 3 76.81 6.34 1.2410 4 2 10 77.74 1.76 1.2284 6 4 2 78.61 1.56 1.2170 7 2 2 80.06 1.31 1.1986 4 1 11 80.41 1.13 1.1942 3 1 12 80.60 1.64 1.1920 6 3 6 80.99 2.32 1.1872 7 0 5 84.27 5.44 1.1491 7 3 3 87.09 2.55 1.1191 4 4 10 87.28 4.32 1.1171 3 1 13 87.41 1.02 1.1157 7 2 6 88.00 1.06 1.1098 8 0 2 88.73 1.47 1.1025 6 5 4 88.93 1.14 1.1006 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.