Albite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100169 Gualtieri A F Journal of Applied Crystallography 33 (2000) 267-278 Accuracy of XRPD QPA using the combined Rietveld-RIR method Locality: Baveno, Novara, Italy _database_code_amcsd 0012863 CELL PARAMETERS: 8.1540 12.8010 7.1700 94.227 116.581 87.721 SPACE GROUP: C-1 ATOM X Y Z OCCUPANCY ISO(B) Na 0.27910 -0.01260 0.17940 0.980 7.580 Ca 0.27910 -0.01260 0.17940 0.020 7.580 Si 0.01320 0.16570 0.21130 0.745 4.264 Al 0.01320 0.16570 0.21130 0.255 4.264 Si 0.01000 0.82030 0.24040 0.745 3.869 Al 0.01000 0.82030 0.24040 0.255 3.869 Si 0.68570 0.11100 0.31610 0.745 5.211 Al 0.68570 0.11100 0.31610 0.255 5.211 Si 0.68020 0.88440 0.35980 0.745 3.474 Al 0.68020 0.88440 0.35980 0.255 3.474 O -0.00440 0.13540 0.96300 1.000 5.764 O 0.58480 0.99470 0.25630 1.000 3.316 O 0.81880 0.11010 0.20140 1.000 5.606 O 0.81660 0.84490 0.25520 1.000 1.184 O 0.01120 0.69050 0.22090 1.000 2.921 O 0.20430 0.11110 0.38560 1.000 1.737 O 0.18620 0.87020 0.42970 1.000 2.132 O 0.00690 0.30080 0.26190 1.000 4.106 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: 5.394823236 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.84 10.37 6.3996 0 0 1 13.87 6.25 6.3829 0 2 0 13.94 1.25 6.3526 1 1 0 14.03 2.24 6.3111 -1 1 0 14.97 2.77 5.9187 -1 -1 1 15.84 3.00 5.5957 -1 1 1 22.03 92.62 4.0355 -2 0 1 23.04 8.47 3.8601 1 -1 1 23.51 24.86 3.7838 1 1 1 24.13 21.92 3.6875 1 3 0 24.25 14.11 3.6700 -1 -3 1 24.30 40.53 3.6631 -1 3 0 25.37 9.86 3.5105 -1 -1 2 25.54 1.59 3.4872 -2 -2 1 26.38 9.57 3.3787 -1 1 2 27.70 53.11 3.2204 -2 0 2 27.88 100.00 3.1998 0 0 2 27.96 55.15 3.1915 0 4 0 28.09 24.91 3.1763 2 2 0 28.28 29.55 3.1556 -2 2 0 30.10 16.92 2.9687 1 -3 1 30.20 15.68 2.9594 -2 -2 2 30.46 6.25 2.9350 0 -2 2 30.51 14.92 2.9302 0 -4 1 31.20 12.20 2.8668 1 3 1 31.48 3.06 2.8423 -1 -3 2 32.11 1.15 2.7872 0 4 1 33.92 7.92 2.6431 -1 3 2 35.00 17.59 2.5637 -2 -4 1 35.31 2.19 2.5417 -3 -1 2 36.48 1.43 2.4630 2 2 1 36.73 11.47 2.4469 -2 4 1 36.96 4.30 2.4323 -1 -5 1 37.30 4.27 2.4105 2 4 0 37.41 1.67 2.4040 -1 5 0 37.60 1.84 2.3924 -2 4 0 37.62 2.20 2.3911 3 1 0 37.73 1.50 2.3844 -3 1 0 38.78 9.48 2.3219 -3 -3 1 39.50 1.48 2.2816 -1 1 3 40.08 2.94 2.2495 -3 3 1 40.47 1.46 2.2292 1 -3 2 41.18 1.06 2.1921 0 4 2 41.19 2.93 2.1918 -2 4 2 41.26 2.72 2.1879 1 -5 1 41.85 1.02 2.1584 -2 2 3 42.49 8.54 2.1276 0 6 0 42.61 1.43 2.1216 -1 -3 3 42.66 3.56 2.1196 1 5 1 43.21 1.65 2.0935 -3 1 3 43.52 3.24 2.0795 2 -4 1 44.92 1.23 2.0177 -4 0 2 45.23 1.70 2.0046 -4 0 1 45.78 3.45 1.9822 0 6 1 47.08 2.09 1.9301 2 -2 2 47.93 6.44 1.8980 -4 2 2 48.09 5.00 1.8919 2 2 2 48.11 1.10 1.8911 -3 -5 1 49.17 10.23 1.8530 -4 0 3 49.43 2.66 1.8437 2 6 0 49.78 4.64 1.8316 -2 6 0 49.91 3.48 1.8271 0 -4 3 49.97 5.32 1.8252 0 -6 2 50.03 5.53 1.8230 4 0 0 50.53 3.48 1.8063 1 1 3 51.10 8.94 1.7876 -2 0 4 52.07 1.13 1.7564 4 2 0 52.11 2.62 1.7552 -2 -2 4 52.29 1.11 1.7494 -4 2 0 52.48 3.81 1.7436 -4 -4 2 53.14 1.49 1.7236 2 -4 2 53.17 2.27 1.7227 0 6 2 53.24 2.19 1.7204 1 -3 3 54.30 1.34 1.6893 -2 2 4 54.98 1.98 1.6702 2 4 2 54.99 1.59 1.6697 -4 4 2 57.61 1.06 1.5999 0 0 4 58.09 1.36 1.5878 -4 -2 4 58.60 1.19 1.5753 0 -2 4 58.75 1.52 1.5716 0 -8 1 59.53 1.01 1.5529 -5 1 3 61.27 1.17 1.5128 -2 4 4 61.45 2.44 1.5088 -2 -8 1 61.68 1.83 1.5039 -5 -3 3 63.46 3.35 1.4659 2 8 0 63.68 2.09 1.4614 0 6 3 63.85 2.15 1.4578 -2 8 0 64.62 1.06 1.4424 -4 -6 3 64.78 2.78 1.4391 -4 6 1 65.07 2.15 1.4334 2 6 2 65.23 1.63 1.4303 -4 6 2 65.38 1.80 1.4274 2 -4 3 65.92 1.21 1.4170 1 1 4 67.02 1.17 1.3964 -5 -3 4 67.39 1.11 1.3896 4 6 0 67.79 1.85 1.3824 1 -3 4 67.91 1.17 1.3802 2 4 3 68.21 2.39 1.3750 -4 0 5 68.79 1.01 1.3648 -4 -2 5 69.40 2.19 1.3542 -6 0 2 69.47 1.91 1.3530 -1 -9 2 69.85 2.93 1.3465 4 0 2 70.59 1.19 1.3342 -6 -2 2 70.86 1.08 1.3299 -1 -3 5 73.94 1.51 1.2818 -4 -8 2 74.76 1.20 1.2698 2 -8 2 77.83 1.48 1.2272 2 8 2 78.12 1.64 1.2234 -4 8 2 78.74 1.50 1.2153 6 0 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.