Reyerite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R060490 Merlino S Mineralogical Magazine 52 (1988) 247-256 The structure of reyerite, (Na,K)2Ca14Si22Al2O58(OH)8*6H2O Locality: Niakornak, Greenland Note: anisoU's from ICSD CELL PARAMETERS: 9.7200 9.7200 19.0500 90.000 90.000 120.000 SPACE GROUP: P-3 ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.00000 0.43890 0.170 7.000 Na 0.54400 0.01200 0.49750 0.120 7.000 Na 0.10800 0.01400 0.48140 0.090 7.000 Ca 0.66667 0.33333 0.19300 1.000 0.870 Ca 0.24370 0.05020 0.16980 1.000 0.990 Ca 0.38620 0.47620 0.19710 1.000 0.880 Si 0.20880 0.31450 0.03860 1.000 0.630 Si 0.33333 0.66667 0.05660 1.000 0.610 Si 0.36400 0.23750 0.32840 1.000 0.790 Si 0.12350 0.36680 0.32890 1.000 0.720 Si 0.66667 0.33333 0.41390 1.000 0.690 Al 0.33333 0.66667 0.41430 1.000 0.680 O 0.21570 0.26220 0.11780 1.000 1.080 O 0.49080 0.09700 0.13460 1.000 1.130 O 0.13370 0.41360 0.24730 1.000 1.120 O 0.41940 0.26780 0.24810 1.000 1.200 O 0.00000 0.00000 0.21980 1.000 0.900 O 0.33333 0.66667 0.14050 1.000 0.790 O 0.26230 0.23810 -0.02330 1.000 1.110 O 0.31760 0.50440 0.02530 1.000 1.290 O 0.24610 0.30390 0.34390 1.000 1.660 O 0.26690 0.04960 0.34600 1.000 1.550 O 0.33333 0.66667 0.50380 1.000 2.630 O 0.16250 0.50760 0.38260 1.000 1.460 O 0.50850 0.32710 0.38380 1.000 1.780 Wa 0.29010 0.01690 0.50210 0.350 7.000 Wa 0.36760 0.02120 0.49960 0.450 7.000 Wa 0.16700 -0.02700 0.50350 0.200 7.000 H 0.50000 0.11400 0.08600 1.000 3.000 H 0.00000 0.00000 0.27000 1.000 3.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 17 MAX. ABS. INTENSITY / VOLUME**2: 5.676432516 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 4.64 53.91 19.0500 0 0 1 9.28 53.07 9.5250 0 0 2 10.51 4.26 8.4178 1 0 0 11.49 15.06 7.6996 0 1 1 11.49 3.00 7.6996 1 0 1 13.95 3.28 6.3500 0 0 3 14.04 3.17 6.3076 0 1 2 14.04 5.10 6.3076 1 0 2 17.49 6.08 5.0694 0 1 3 17.49 2.28 5.0694 1 0 3 18.25 3.24 4.8600 1 1 0 18.63 3.05 4.7625 0 0 4 18.84 2.76 4.7092 2 -1 1 20.52 5.81 4.3290 2 -1 2 20.52 7.33 4.3290 1 1 2 21.11 63.30 4.2089 2 0 0 21.44 9.01 4.1451 0 1 4 21.44 4.82 4.1451 1 0 4 23.04 9.66 3.8594 1 1 3 23.04 10.96 3.8594 2 -1 3 23.10 1.65 3.8498 0 2 2 23.10 2.39 3.8498 2 0 2 23.35 16.71 3.8100 0 0 5 25.39 20.66 3.5082 0 2 3 25.39 31.05 3.5082 2 0 3 25.67 19.31 3.4710 1 0 5 26.20 1.52 3.4015 2 -1 4 28.05 2.10 3.1816 1 2 0 28.05 2.91 3.1816 2 1 0 28.10 40.59 3.1750 0 0 6 28.30 4.49 3.1538 0 2 4 28.44 5.37 3.1382 -1 3 1 28.44 84.25 3.1382 1 2 1 28.44 3.95 3.1382 2 1 1 29.60 21.98 3.0177 1 2 2 29.60 1.63 3.0177 2 1 2 29.60 7.55 3.0177 3 -1 2 29.80 19.33 2.9984 1 1 5 29.80 2.60 2.9984 2 -1 5 30.08 18.52 2.9707 0 1 6 31.45 93.74 2.8445 1 2 3 31.45 2.18 2.8445 2 1 3 31.45 3.39 2.8445 3 -1 3 31.68 5.53 2.8246 0 2 5 31.68 1.07 2.8246 2 0 5 31.89 8.80 2.8059 3 0 0 32.25 1.45 2.7760 0 3 1 32.25 2.00 2.7760 3 0 1 32.91 6.64 2.7214 0 0 7 33.29 1.12 2.6916 0 3 2 33.29 3.65 2.6916 3 0 2 33.72 5.84 2.6581 1 1 6 33.72 19.49 2.6581 2 -1 6 33.88 7.71 2.6456 -1 3 4 33.88 43.42 2.6456 1 2 4 33.88 17.14 2.6456 3 -1 4 34.64 1.98 2.5895 0 1 7 34.96 2.14 2.5665 0 3 3 35.41 9.17 2.5347 2 0 6 36.80 12.28 2.4421 3 -1 5 36.99 8.21 2.4300 2 2 0 38.56 2.61 2.3347 3 1 0 38.86 1.97 2.3173 4 -1 1 38.86 1.14 2.3173 3 1 1 39.72 1.16 2.2695 4 -2 3 39.75 3.06 2.2675 1 3 2 39.75 1.55 2.2675 3 1 2 39.90 1.23 2.2593 0 3 5 39.90 1.71 2.2593 3 0 5 40.12 28.94 2.2474 1 2 6 40.12 1.22 2.2474 3 -1 6 41.20 6.35 2.1913 4 -1 3 42.26 1.77 2.1384 1 1 8 43.02 1.25 2.1025 0 3 6 43.02 1.08 2.1025 3 0 6 43.15 2.80 2.0963 -1 4 4 43.15 3.65 2.0963 4 -1 4 43.15 3.13 2.0963 3 1 4 43.25 1.58 2.0917 0 4 1 43.77 14.87 2.0681 1 2 7 43.77 1.79 2.0681 2 1 7 43.77 6.08 2.0681 3 -1 7 44.21 1.97 2.0488 4 -2 5 44.21 1.09 2.0488 2 2 5 46.81 3.12 1.9406 1 1 9 47.06 1.32 1.9312 3 2 0 47.06 2.10 1.9312 2 3 0 47.31 1.94 1.9213 -2 5 1 47.31 3.02 1.9213 3 2 1 47.70 2.45 1.9064 1 2 8 47.70 2.16 1.9064 2 1 8 47.70 1.07 1.9064 -1 3 8 47.70 1.77 1.9064 3 -1 8 48.39 2.50 1.8809 4 -1 6 49.03 2.69 1.8580 1 0 10 49.63 54.27 1.8369 4 1 0 49.88 1.44 1.8284 -1 5 1 49.88 1.21 1.8284 4 1 1 50.25 1.50 1.8156 0 3 8 50.61 9.18 1.8037 -1 5 2 50.61 9.22 1.8037 4 1 2 50.61 2.90 1.8037 5 -1 2 51.53 2.94 1.7736 1 1 10 51.81 5.53 1.7646 -1 5 3 51.81 6.28 1.7646 4 1 3 51.88 13.12 1.7623 1 2 9 51.88 2.39 1.7623 -1 3 9 52.74 4.80 1.7355 0 2 10 52.87 1.68 1.7318 0 0 11 53.17 1.50 1.7225 5 -2 5 53.91 2.50 1.7008 4 -2 8 53.91 4.06 1.7008 2 2 8 55.09 1.69 1.6671 -1 4 8 55.09 1.75 1.6671 1 3 8 55.54 3.12 1.6546 4 1 5 55.54 3.48 1.6546 -1 5 5 55.54 5.09 1.6546 5 -1 5 56.29 6.49 1.6344 3 -1 10 56.40 1.20 1.6313 2 -1 11 57.55 3.88 1.6015 0 2 11 57.97 1.32 1.5908 2 4 0 58.01 1.37 1.5900 -1 5 6 58.01 4.01 1.5900 1 4 6 58.01 1.04 1.5900 4 1 6 58.19 4.40 1.5853 6 -2 1 58.53 1.53 1.5769 4 0 8 58.83 4.40 1.5697 6 -3 3 58.85 1.11 1.5691 6 -2 2 58.89 7.25 1.5681 4 -1 9 58.89 1.88 1.5681 3 1 9 59.94 5.65 1.5431 6 -2 3 60.90 1.07 1.5211 1 2 11 61.45 8.30 1.5089 6 -2 4 62.17 2.56 1.4932 5 1 2 62.53 3.27 1.4854 2 0 12 63.08 2.37 1.4737 3 0 11 63.22 1.84 1.4708 -1 6 3 63.36 2.31 1.4680 2 4 5 63.48 2.30 1.4654 0 0 13 64.02 1.27 1.4544 4 1 8 64.02 1.18 1.4544 -1 5 8 64.58 2.47 1.4430 6 -3 6 64.69 1.65 1.4410 5 1 4 65.64 3.88 1.4223 6 -2 6 65.74 1.22 1.4205 -1 3 12 65.74 5.61 1.4205 3 -1 12 66.27 4.36 1.4103 4 -2 11 66.54 4.08 1.4053 5 1 5 67.48 1.45 1.3880 0 6 2 68.30 1.42 1.3734 2 4 7 68.30 2.52 1.3734 6 -2 7 68.52 1.07 1.3695 7 -3 2 68.77 3.40 1.3650 -1 6 6 69.02 1.59 1.3607 0 0 14 69.28 1.89 1.3562 5 -2 10 69.77 6.68 1.3479 2 5 0 70.79 4.98 1.3310 3 -1 13 71.33 1.52 1.3223 5 -1 10 71.56 2.01 1.3185 2 5 3 71.56 1.23 1.3185 7 -2 3 71.69 1.49 1.3165 0 6 5 71.92 1.00 1.3128 3 1 12 72.08 2.22 1.3103 2 -1 14 72.70 1.17 1.3007 4 3 5 73.09 1.64 1.2947 2 0 14 73.44 1.15 1.2893 5 -2 11 73.63 1.47 1.2865 6 -3 9 74.31 1.02 1.2764 5 1 8 74.63 2.82 1.2717 6 -2 9 76.08 1.05 1.2511 1 2 14 76.83 1.11 1.2407 7 -2 6 77.60 1.97 1.2303 -1 6 9 77.90 1.62 1.2263 2 3 12 78.30 2.12 1.2210 2 4 10 79.74 1.45 1.2025 7 0 0 79.93 1.46 1.2001 0 7 1 82.78 1.67 1.1659 5 3 4 82.78 2.61 1.1659 0 7 4 83.45 1.97 1.1583 3 4 9 84.59 1.07 1.1455 -1 5 13 86.55 2.60 1.1246 0 7 6 86.64 1.22 1.1237 2 4 12 87.03 1.23 1.1196 4 3 10 87.42 1.44 1.1156 3 1 15 88.99 1.06 1.0999 7 0 7 89.52 1.08 1.0948 5 1 12 89.52 1.12 1.0948 1 5 12 89.52 1.40 1.0948 -1 6 12 89.67 1.31 1.0934 1 4 14 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.