Okenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070602 Merlino S American Mineralogist 68 (1983) 614-622 Okenite, Ca10Si18O46*18H2O: the first example of a chain and sheet silicate CELL PARAMETERS: 9.6900 7.2900 22.0130 92.655 100.090 111.030 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Ca -0.02800 0.50900 0.15530 1.000 0.900 Ca -0.37500 0.57700 0.12380 1.000 0.700 Ca -0.38300 0.07400 0.12480 1.000 0.800 Ca -0.01900 0.01400 0.17190 1.000 0.700 Si -0.14700 0.14200 0.02410 1.000 1.000 Si -0.14700 0.71500 0.02320 1.000 1.300 Si -0.40000 0.29900 -0.00880 1.000 1.100 Si -0.26600 0.42200 0.26170 1.000 1.900 Si -0.27600 0.83800 0.26630 1.000 1.000 Si 0.17600 0.84600 0.29260 1.000 0.800 Si 0.05300 0.41200 0.29900 1.000 0.500 Si 0.02400 0.06700 0.36540 1.000 0.700 Si 0.48100 0.01600 0.25600 1.000 0.700 O -0.26400 0.39300 0.19000 1.000 0.500 O -0.13400 0.71400 0.09800 1.000 0.900 OH 0.20600 0.63200 0.12800 1.000 1.600 O 0.06500 0.80000 0.22800 1.000 2.200 O -0.13100 0.18600 0.09600 1.000 2.000 O 0.03700 0.32300 0.23100 1.000 2.200 O -0.26500 0.88600 0.19700 1.000 0.500 OH 0.19400 0.10000 0.13200 1.000 1.700 O -0.43900 0.29100 0.06100 1.000 0.400 O 0.45900 0.22600 -0.06500 1.000 0.500 OH 0.41800 0.47900 0.17800 1.000 2.600 O 0.42900 0.97600 0.18300 1.000 1.900 O 0.00200 0.28500 0.00000 1.000 2.200 O -0.16800 0.91700 -0.00100 1.000 0.100 O 0.28900 0.82100 0.01400 1.000 2.500 O 0.30100 0.45900 0.01700 1.000 0.400 O -0.29300 0.62600 0.28000 1.000 1.400 O -0.10400 0.43500 0.30500 1.000 1.200 O 0.60800 0.23500 0.28400 1.000 0.700 O 0.56700 0.86600 0.27900 1.000 1.300 O -0.14400 0.99200 0.31800 1.000 0.900 O 0.00200 0.04200 0.43700 1.000 1.900 O 0.10100 0.29700 0.35400 1.000 0.600 O 0.12300 0.94900 0.34800 1.000 0.700 O 0.18200 0.64400 0.31800 1.000 0.600 O 0.34700 0.98300 0.29100 1.000 0.800 Ca 0.13300 0.89600 0.49900 0.500 1.800 Ca -0.19900 0.94900 0.47900 0.500 2.900 Wa 0.26500 0.80200 0.58800 1.000 6.400 Wa -0.06700 0.57400 0.44200 0.500 5.400 Wa 0.28800 0.76800 0.44800 0.500 5.200 Wa -0.36200 0.80600 0.49500 0.500 8.000 Wa -0.28900 0.61300 0.50600 0.500 14.800 Wa 0.37800 0.92700 0.47400 0.500 13.400 Wa -0.09800 0.34500 0.55000 0.500 14.900 Wa -0.53500 0.28500 0.39900 1.000 13.300 Wa 0.42000 0.75500 0.40900 0.500 4.200 Wa 0.47100 0.61800 0.37300 0.500 6.200 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 6 +/- 19 MAX. ABS. INTENSITY / VOLUME**2: 4.753992346 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.22 18.01 10.7595 0 0 2 9.99 63.25 8.8514 -1 0 1 9.99 36.75 8.8511 1 0 0 11.57 39.56 7.6512 -1 0 2 11.57 7.50 7.6507 1 0 1 12.34 5.26 7.1730 0 0 3 13.10 24.92 6.7562 0 1 0 13.19 4.81 6.7127 -1 1 0 13.26 15.09 6.6767 0 -1 1 14.20 3.62 6.2376 0 1 1 14.20 15.75 6.2350 1 0 2 15.29 10.62 5.7949 -1 1 2 15.82 5.39 5.6005 1 -1 2 16.30 1.71 5.4381 0 1 2 16.48 14.68 5.3798 0 0 4 17.75 4.22 4.9968 -1 1 3 18.93 1.19 4.6872 -1 -1 1 19.09 1.22 4.6501 0 1 3 19.27 4.22 4.6052 1 1 0 19.45 1.10 4.5640 -2 1 0 19.49 7.22 4.5549 -1 -1 2 19.63 10.68 4.5223 -2 0 1 20.06 2.00 4.4257 -2 0 2 20.06 3.29 4.4256 2 0 0 20.11 1.28 4.4163 -2 1 2 20.42 13.06 4.3498 2 -1 1 20.47 4.34 4.3394 1 1 1 20.64 2.17 4.3038 0 0 5 20.76 2.90 4.2780 -1 1 4 21.01 1.56 4.2276 -1 0 5 21.31 4.83 4.1691 -2 0 3 21.31 5.96 4.1689 2 0 1 21.56 1.25 4.1223 1 -1 4 21.66 7.77 4.1036 -2 1 3 22.31 3.23 3.9842 0 1 4 22.38 10.44 3.9722 1 1 2 23.15 2.57 3.8427 0 -1 5 23.25 2.16 3.8256 -2 0 4 23.85 2.30 3.7316 -2 1 4 24.14 3.61 3.6873 -1 1 5 24.62 4.82 3.6158 1 -2 1 24.79 21.97 3.5911 -1 0 6 24.79 5.78 3.5909 1 0 5 24.83 11.22 3.5865 0 0 6 24.86 3.22 3.5812 1 1 3 24.98 1.90 3.5645 -1 2 1 25.00 1.70 3.5622 1 -1 5 25.48 1.33 3.4952 1 -2 2 25.53 3.57 3.4886 -1 -1 5 25.83 1.71 3.4489 0 1 5 26.21 2.61 3.3997 0 -2 1 26.38 3.72 3.3781 0 2 0 26.53 2.31 3.3602 -2 1 5 26.56 1.46 3.3563 -2 2 0 26.70 1.73 3.3384 0 -2 2 26.72 2.66 3.3363 0 -1 6 26.73 3.89 3.3356 -2 2 1 27.04 3.08 3.2972 2 -2 1 27.24 1.75 3.2738 2 -1 4 27.44 7.25 3.2504 -2 -1 2 27.74 7.05 3.2164 -3 1 1 27.77 2.54 3.2127 1 1 4 27.96 2.14 3.1912 -1 2 3 28.13 2.95 3.1726 -3 1 0 28.15 2.19 3.1703 -2 -1 3 28.15 9.38 3.1700 2 -2 2 28.52 1.06 3.1292 -1 -1 6 28.62 24.38 3.1188 0 2 2 28.63 5.03 3.1177 -2 0 6 28.63 10.99 3.1175 2 0 4 28.66 4.32 3.1145 1 -1 6 28.71 1.10 3.1090 -1 0 7 28.72 5.36 3.1088 1 0 6 29.01 4.66 3.0780 1 -2 4 29.05 22.27 3.0741 0 0 7 29.08 4.18 3.0709 2 1 1 29.50 4.63 3.0274 0 -2 4 29.71 19.62 3.0075 -3 0 2 29.71 1.72 3.0075 -3 0 1 29.82 33.81 2.9967 2 -2 3 30.24 17.41 2.9550 -3 1 4 30.29 24.20 2.9505 -3 0 3 30.37 7.63 2.9434 2 -1 5 30.48 3.29 2.9325 0 -1 7 30.56 47.18 2.9251 0 2 3 30.78 1.79 2.9053 2 1 2 30.86 5.10 2.8974 -2 2 4 30.99 3.98 2.8854 1 1 5 31.25 2.22 2.8620 -1 -2 1 31.26 2.01 2.8614 -2 -1 5 31.39 3.91 2.8498 -1 -2 2 31.44 5.88 2.8454 -3 0 4 31.49 1.01 2.8412 1 -2 5 31.55 9.22 2.8361 -1 1 7 31.67 8.77 2.8254 0 -2 5 31.68 3.04 2.8244 1 2 0 31.82 1.35 2.8127 -1 -1 7 31.84 10.70 2.8102 -2 0 7 31.85 7.04 2.8100 2 0 5 31.96 20.03 2.8003 2 -2 4 32.09 2.64 2.7896 -1 -2 3 32.16 1.09 2.7831 -3 1 5 32.26 4.10 2.7751 -3 2 2 32.49 1.95 2.7557 1 -1 7 32.74 2.93 2.7349 -1 0 8 32.75 1.73 2.7348 1 0 7 32.94 1.37 2.7191 0 2 4 33.09 4.43 2.7070 -3 0 5 33.09 2.31 2.7069 3 0 2 33.31 1.51 2.6901 -1 -2 4 33.31 4.45 2.6899 0 0 8 33.52 1.53 2.6732 -2 -1 6 33.76 2.00 2.6550 2 -1 6 34.12 2.51 2.6275 1 2 2 34.23 2.69 2.6193 0 -2 6 34.33 1.12 2.6124 1 -2 6 34.46 1.25 2.6023 1 1 6 35.01 1.15 2.5633 -1 -2 5 35.13 1.76 2.5542 3 -1 4 35.19 5.86 2.5504 -3 0 6 35.30 2.44 2.5424 -2 0 8 35.30 4.06 2.5423 2 0 6 35.48 1.37 2.5303 -1 1 8 35.54 3.16 2.5262 3 -2 3 36.16 1.24 2.4841 -2 -1 7 36.56 6.14 2.4576 -3 2 5 37.13 7.31 2.4217 -1 -2 6 37.38 1.18 2.4055 2 -2 6 37.54 1.04 2.3958 3 1 0 37.63 5.71 2.3902 3 -2 4 37.67 1.17 2.3882 -3 0 7 37.75 1.24 2.3830 -2 3 1 38.27 1.31 2.3517 2 -3 2 38.36 1.52 2.3465 1 2 4 38.73 5.48 2.3250 0 2 6 38.76 1.18 2.3232 -2 -2 3 38.85 1.55 2.3180 -3 2 6 38.96 1.72 2.3118 2 0 7 39.12 1.78 2.3026 2 2 0 39.61 1.70 2.2753 -1 -2 7 39.87 3.99 2.2611 -4 0 2 40.10 2.59 2.2487 -4 0 1 40.21 2.99 2.2429 -3 1 8 40.54 9.04 2.2253 2 -2 7 40.78 3.21 2.2128 -4 0 4 40.83 3.21 2.2099 1 -2 8 41.01 1.15 2.2007 1 2 5 41.48 1.95 2.1772 -3 2 7 41.53 2.37 2.1743 3 -3 2 41.63 1.45 2.1697 2 2 2 41.89 8.96 2.1566 -4 0 5 41.99 1.05 2.1519 0 0 10 42.02 2.27 2.1500 0 2 7 42.31 2.09 2.1361 -4 2 5 42.65 1.63 2.1199 -1 2 8 42.78 1.06 2.1138 -2 0 10 42.84 1.49 2.1109 2 -3 5 43.20 1.07 2.0944 -3 3 4 43.55 1.11 2.0783 3 0 6 44.39 1.74 2.0406 -3 2 8 44.42 1.34 2.0396 1 -2 9 45.11 1.88 2.0097 2 -3 6 45.31 1.44 2.0016 4 0 3 45.48 1.45 1.9944 -1 -2 9 45.97 1.90 1.9741 1 3 1 46.33 2.52 1.9599 -1 2 9 46.86 2.59 1.9388 -3 0 10 46.86 1.13 1.9387 3 0 7 46.87 1.09 1.9386 -2 -2 8 47.00 2.07 1.9332 -3 -2 3 47.21 1.27 1.9252 -3 -2 1 47.50 1.23 1.9141 -3 -2 4 47.54 2.28 1.9128 -4 0 8 47.57 1.06 1.9116 -3 2 9 47.91 5.06 1.8987 3 2 0 48.04 3.38 1.8939 -5 2 3 48.33 3.39 1.8833 -5 2 0 48.99 1.13 1.8593 1 -1 11 49.21 2.01 1.8517 5 -2 1 49.24 2.50 1.8507 0 2 9 49.44 1.13 1.8436 -2 2 10 50.10 13.03 1.8206 2 -4 1 50.11 11.33 1.8205 -2 4 0 50.29 1.04 1.8145 -1 -3 7 50.57 1.36 1.8048 1 2 8 51.26 2.02 1.7821 -2 -3 3 51.30 6.18 1.7811 2 -2 10 51.98 2.00 1.7593 2 3 0 52.24 1.25 1.7512 3 2 3 52.26 1.08 1.7506 4 1 3 52.49 1.37 1.7432 -5 3 0 52.75 1.43 1.7354 -5 0 6 52.90 1.22 1.7308 4 0 6 53.11 3.73 1.7245 0 2 10 53.33 2.27 1.7179 2 -1 11 53.99 2.05 1.6985 5 -2 4 54.35 1.88 1.6880 3 2 4 55.64 1.65 1.6520 -2 -2 11 55.97 1.73 1.6429 -4 0 11 56.01 1.64 1.6419 5 0 3 56.46 2.52 1.6297 -4 -2 2 57.19 1.92 1.6107 -2 -1 13 57.48 1.46 1.6032 -5 2 9 57.55 2.28 1.6016 -6 2 1 57.90 5.48 1.5927 -4 2 11 58.03 1.60 1.5894 -3 -2 10 58.11 1.19 1.5874 5 0 4 58.65 1.24 1.5740 1 -3 11 58.82 1.14 1.5698 -1 0 14 58.83 1.41 1.5698 1 0 13 58.88 1.86 1.5684 -1 -4 3 59.04 3.38 1.5646 -2 -2 12 59.39 3.34 1.5561 -1 -4 4 59.46 1.16 1.5545 -2 0 14 60.15 1.24 1.5383 -5 2 10 60.28 1.96 1.5355 4 2 2 60.37 3.29 1.5332 6 -2 2 60.47 2.72 1.5309 -5 4 3 60.50 1.64 1.5302 -5 0 10 60.88 2.45 1.5217 2 2 9 60.89 1.14 1.5213 -6 3 0 61.41 1.73 1.5097 -1 -4 6 61.68 1.14 1.5038 5 -3 6 62.35 1.44 1.4893 -3 2 13 62.49 1.67 1.4862 -5 4 5 62.81 1.30 1.4794 4 0 9 63.18 1.07 1.4717 4 -2 10 63.53 1.51 1.4645 -1 0 15 63.97 1.31 1.4553 -2 0 15 63.98 4.51 1.4553 2 0 13 66.53 1.92 1.4054 -6 4 1 66.56 1.01 1.4050 4 0 10 67.22 1.12 1.3927 -3 -2 13 68.36 2.13 1.3722 1 0 15 68.63 1.16 1.3674 2 0 14 69.01 1.37 1.3609 0 -5 2 69.67 1.17 1.3496 -5 2 13 70.32 1.01 1.3387 0 5 1 70.51 1.16 1.3355 -2 -2 15 70.55 1.31 1.3348 -7 2 7 74.77 1.17 1.2697 7 -2 4 78.47 1.43 1.2189 -6 -2 2 81.74 1.27 1.1782 -7 0 11 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.