Albite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040068 Downs R T, Hazen R M, Finger L W American Mineralogist 79 (1994) 1042-1052 The high-pressure crystal chemistry of low albite and the origin of the pressure dependency of Al-Si ordering P = 0, constrained data set Note: sample is from Crete CELL PARAMETERS: 8.1350 12.7840 7.1594 94.271 116.594 87.717 SPACE GROUP: C-1 ATOM X Y Z OCCUPANCY ISO(B) Na 0.26913 0.98904 0.14894 1.000 3.000 Al 0.00890 0.16819 0.20762 1.000 0.640 Si 0.00398 0.82043 0.23665 1.000 0.630 Si 0.69222 0.11044 0.31589 1.000 0.590 Si 0.68162 0.88179 0.36088 1.000 0.610 O 0.00615 0.13166 0.96889 1.000 1.170 O 0.59158 0.99706 0.27896 1.000 0.770 O 0.81370 0.11011 0.19504 1.000 1.050 O 0.81898 0.85089 0.25629 1.000 1.190 O 0.01239 0.30185 0.26901 1.000 0.960 O 0.02327 0.69340 0.22754 1.000 0.920 O 0.20643 0.10894 0.38631 1.000 1.190 O 0.18092 0.86801 0.42864 1.000 1.440 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 11 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 5.368423408 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.86 9.43 6.3891 0 0 1 13.89 5.71 6.3741 0 2 0 13.97 2.82 6.3379 1 1 0 14.06 3.56 6.2982 -1 1 0 14.99 5.41 5.9100 -1 -1 1 15.87 3.89 5.5851 -1 1 1 22.08 95.98 4.0264 -2 0 1 23.08 14.81 3.8531 1 -1 1 23.56 40.34 3.7755 1 1 1 24.18 23.08 3.6809 1 3 0 24.28 16.37 3.6655 -1 -3 1 24.34 42.10 3.6576 -1 3 0 25.41 13.28 3.5058 -1 -1 2 25.59 6.00 3.4804 -2 -2 1 26.43 16.43 3.3729 -1 1 2 26.75 1.05 3.3327 -2 2 1 27.75 67.54 3.2147 -2 0 2 27.93 100.00 3.1945 0 0 2 28.00 62.99 3.1870 0 4 0 28.16 33.76 3.1689 2 2 0 28.34 36.97 3.1491 -2 2 0 30.15 24.62 2.9646 1 -3 1 30.25 16.04 2.9550 -2 -2 2 30.50 10.85 2.9313 0 -2 2 30.54 18.92 2.9270 0 -4 1 31.27 15.15 2.8609 1 3 1 31.51 4.03 2.8393 -1 -3 2 33.98 10.40 2.6383 -1 3 2 35.06 20.02 2.5595 -2 -4 1 35.39 3.25 2.5366 -3 -1 2 35.75 1.40 2.5118 1 -1 2 36.00 2.05 2.4951 2 -2 1 36.22 1.28 2.4800 -3 1 2 36.57 1.79 2.4573 2 2 1 36.80 15.34 2.4425 -2 4 1 37.01 6.27 2.4293 -1 -5 1 37.38 4.74 2.4057 2 4 0 37.46 1.95 2.4007 -1 5 0 37.66 2.45 2.3884 -2 4 0 37.71 2.72 2.3852 3 1 0 37.82 3.28 2.3788 -3 1 0 38.87 10.69 2.3170 -3 -3 1 38.90 1.53 2.3150 -1 5 1 39.57 1.78 2.2778 -1 1 3 40.17 2.98 2.2449 -3 3 1 40.53 1.31 2.2260 1 -3 2 41.26 2.58 2.1879 0 4 2 41.27 1.57 2.1878 -2 4 2 41.32 5.00 2.1851 1 -5 1 41.93 1.30 2.1545 -2 2 3 42.55 10.97 2.1247 0 6 0 42.74 4.85 2.1156 1 5 1 42.80 1.70 2.1126 3 3 0 43.30 2.18 2.0896 -3 1 3 43.59 6.80 2.0762 2 -4 1 44.57 1.97 2.0331 2 4 1 45.03 1.40 2.0132 -4 0 2 45.35 2.29 1.9998 -4 0 1 45.50 1.35 1.9935 -1 3 3 45.77 1.21 1.9825 0 2 3 45.85 4.13 1.9789 0 6 1 46.04 1.18 1.9715 3 -1 1 46.66 1.17 1.9468 -4 -2 2 47.18 3.71 1.9266 2 -2 2 48.04 10.19 1.8938 -4 2 2 48.21 7.47 1.8877 2 2 2 48.21 2.21 1.8876 -3 -5 1 49.27 12.13 1.8493 -4 0 3 49.53 4.02 1.8404 2 6 0 49.75 1.39 1.8327 -2 -6 2 49.83 1.66 1.8299 1 -1 3 49.86 7.24 1.8288 -2 6 0 49.98 5.33 1.8250 0 -4 3 50.03 6.64 1.8232 0 -6 2 50.17 10.26 1.8185 4 0 0 50.52 1.08 1.8065 -4 -2 3 50.63 7.73 1.8029 1 1 3 51.18 18.92 1.7848 -2 0 4 51.84 1.14 1.7636 -1 7 0 52.18 3.17 1.7529 -2 -2 4 52.21 2.14 1.7521 4 2 0 52.59 6.55 1.7402 -4 -4 2 53.23 3.09 1.7209 2 -4 2 53.27 2.41 1.7196 0 6 2 53.33 2.16 1.7179 1 -3 3 53.33 3.18 1.7179 -2 6 2 53.41 1.91 1.7156 -4 -4 1 54.40 3.45 1.6864 -2 2 4 54.86 1.72 1.6734 -1 -7 2 54.88 1.51 1.6731 -4 4 1 55.11 4.12 1.6665 2 4 2 55.12 1.67 1.6663 -4 4 2 57.87 2.11 1.5935 0 8 0 58.14 2.82 1.5866 -3 5 3 58.20 2.74 1.5852 -4 -2 4 58.41 1.60 1.5799 3 -5 1 58.69 3.06 1.5731 0 -2 4 58.83 2.31 1.5697 0 -8 1 59.11 1.44 1.5628 -5 1 1 59.26 1.03 1.5593 2 0 3 59.27 2.95 1.5590 3 5 1 59.67 1.37 1.5495 -5 1 3 60.37 1.79 1.5332 -4 2 4 60.51 1.69 1.5300 2 -2 3 61.21 1.03 1.5143 1 -7 2 61.40 1.73 1.5101 -2 4 4 61.55 3.56 1.5067 -2 -8 1 61.81 4.42 1.5010 -5 -3 3 62.93 1.05 1.4769 -4 -6 1 63.57 6.67 1.4635 2 8 0 63.81 3.65 1.4586 0 6 3 63.96 5.65 1.4557 -2 8 0 64.31 1.37 1.4485 -5 3 3 64.73 1.92 1.4402 -4 -6 3 64.92 4.96 1.4364 -4 6 1 65.22 4.68 1.4304 2 6 2 65.37 4.01 1.4276 -4 6 2 65.49 3.78 1.4252 2 -4 3 65.58 2.04 1.4235 -5 1 4 65.78 1.57 1.4196 -2 -6 4 66.06 2.96 1.4143 1 1 4 66.50 1.58 1.4060 4 4 1 67.15 3.32 1.3939 -5 -3 4 67.25 2.03 1.3923 1 9 0 67.45 1.70 1.3885 -1 9 0 67.56 2.13 1.3866 4 6 0 67.91 3.36 1.3803 1 -3 4 68.08 2.51 1.3773 2 4 3 68.34 3.72 1.3727 -4 0 5 68.90 3.71 1.3627 -4 -2 5 69.18 1.15 1.3580 2 8 1 69.43 1.33 1.3537 -4 6 3 69.56 5.22 1.3515 -1 -9 2 69.59 5.11 1.3510 -6 0 2 69.70 2.99 1.3491 -1 1 5 70.03 6.22 1.3435 4 0 2 70.78 2.30 1.3311 -6 -2 2 70.96 3.70 1.3282 -1 -3 5 71.34 1.08 1.3220 -4 2 5 71.63 1.01 1.3175 0 -6 4 71.68 1.24 1.3166 0 -8 3 72.33 1.55 1.3064 -5 5 3 72.69 1.45 1.3008 -6 2 3 73.78 1.99 1.2842 -1 9 2 74.08 4.31 1.2797 -4 -8 2 74.14 1.11 1.2789 -6 0 4 74.42 1.51 1.2748 0 10 0 74.83 1.51 1.2688 2 0 4 74.85 1.10 1.2685 0 -2 5 74.88 4.52 1.2681 2 -8 2 75.46 1.06 1.2598 -6 -4 2 75.53 1.63 1.2587 -6 -4 3 75.77 2.23 1.2555 -5 -3 5 76.84 1.25 1.2406 -4 6 4 76.92 1.34 1.2395 0 6 4 77.72 1.92 1.2287 4 4 2 77.73 1.99 1.2285 -6 4 2 77.75 1.47 1.2283 -4 4 5 78.02 4.42 1.2248 2 8 2 78.28 3.86 1.2213 -4 8 2 78.97 3.57 1.2124 6 0 0 79.61 1.14 1.2043 -3 5 5 80.07 1.26 1.1984 3 -5 3 80.45 1.33 1.1937 -4 -6 5 80.54 1.50 1.1926 6 2 0 82.12 1.23 1.1736 -4 -8 4 82.32 1.11 1.1713 -1 5 5 82.59 1.37 1.1682 -5 -7 4 82.81 1.58 1.1657 0 -8 4 82.96 2.13 1.1639 3 5 3 83.54 1.94 1.1572 1 -7 4 84.62 1.60 1.1453 -3 9 3 84.87 1.86 1.1425 -2 6 5 85.48 1.61 1.1359 -1 -9 4 85.48 2.02 1.1359 6 4 0 86.00 1.96 1.1304 -6 4 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.