Gonnardite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100080 Lee Y, Hriljac J A, Vogt T American Mineralogist 90 (2005) 247-251 Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: at ambient conditions AMCSD#0003721 CELL PARAMETERS: 13.0260 13.0260 6.6220 90.000 90.000 90.000 SPACE GROUP: I-42d ATOM X Y Z OCCUPANCY ISO(B) Si 0.00000 0.00000 0.00000 0.537 0.632 Al 0.00000 0.00000 0.00000 0.463 0.632 Si 0.05500 0.13260 0.62100 0.537 0.632 Al 0.05500 0.13260 0.62100 0.463 0.632 O 0.39180 0.25000 0.12500 1.000 0.947 O 0.13390 0.06070 0.47800 1.000 0.947 O 0.05260 0.09510 0.86620 1.000 0.947 Na 0.69230 0.25000 0.12500 0.731 2.116 Ca 0.69230 0.25000 0.12500 0.237 2.116 Wa 0.12770 0.25000 0.12500 1.000 3.000 Wa 0.87500 0.25000 0.12500 0.370 3.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 11 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 8.485985562 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.60 21.34 6.5130 2 0 0 15.01 59.72 5.9030 1 0 1 19.27 31.50 4.6054 2 2 0 20.30 45.22 4.3739 2 1 1 21.57 21.77 4.1192 3 1 0 27.39 2.94 3.2565 4 0 0 28.14 52.29 3.1715 3 2 1 28.65 20.25 3.1158 1 1 2 30.28 37.74 2.9515 2 0 2 30.70 3.67 2.9127 4 2 0 31.37 100.00 2.8514 4 1 1 34.76 15.47 2.5807 3 1 2 35.13 3.31 2.5546 5 1 0 37.08 19.86 2.4243 4 3 1 38.79 8.46 2.3217 4 0 2 39.12 6.78 2.3027 4 4 0 39.67 3.92 2.2720 5 2 1 40.05 9.03 2.2513 3 3 2 40.38 1.68 2.2339 5 3 0 41.28 24.28 2.1869 4 2 2 41.60 7.00 2.1710 6 0 0 43.86 2.15 2.0641 2 1 3 43.96 1.56 2.0596 6 2 0 46.13 4.46 1.9677 3 0 3 46.71 3.12 1.9446 5 4 1 48.32 7.55 1.8836 3 2 3 49.20 1.74 1.8519 5 3 2 50.43 13.00 1.8094 4 1 3 50.53 11.94 1.8064 6 4 0 50.98 5.57 1.7915 7 0 1 52.31 5.70 1.7488 6 2 2 53.01 3.53 1.7273 7 2 1 53.58 12.75 1.7104 7 3 0 54.49 4.30 1.6841 5 0 3 55.51 6.76 1.6555 0 0 4 56.43 3.09 1.6305 5 2 3 56.52 1.49 1.6283 8 0 0 56.94 9.05 1.6173 6 5 1 57.23 6.50 1.6098 5 5 2 57.23 2.04 1.6098 7 1 2 57.43 1.27 1.6045 2 0 4 58.42 2.00 1.5796 8 2 0 58.83 3.33 1.5696 8 1 1 58.83 1.43 1.5696 7 4 1 60.21 3.12 1.5370 6 1 3 60.25 4.03 1.5361 3 1 4 60.97 3.20 1.5196 7 3 2 62.04 2.61 1.4959 5 4 3 63.69 7.64 1.4611 8 0 2 63.84 2.80 1.4580 6 3 3 63.92 4.52 1.4564 8 4 0 64.77 2.04 1.4393 4 2 4 66.08 4.08 1.4140 9 0 1 67.37 1.14 1.3900 7 2 3 67.41 5.35 1.3893 5 1 4 68.09 2.92 1.3771 7 5 2 69.55 1.31 1.3517 8 5 1 69.99 3.43 1.3442 4 4 4 70.66 2.40 1.3331 8 4 2 70.81 2.21 1.3307 6 5 3 70.85 5.47 1.3301 5 3 4 71.51 1.12 1.3193 9 1 2 71.69 3.01 1.3164 6 0 4 72.50 4.91 1.3037 8 1 3 72.50 1.06 1.3037 7 4 3 72.57 1.43 1.3026 10 0 0 72.94 3.04 1.2970 9 4 1 74.86 2.37 1.2683 9 3 2 76.63 1.57 1.2435 3 2 5 78.27 3.35 1.2214 4 1 5 78.99 1.43 1.2122 10 0 2 79.20 5.06 1.2094 10 4 0 79.55 5.52 1.2049 8 7 1 80.79 7.11 1.1895 7 3 4 81.43 2.64 1.1819 9 5 2 82.80 1.03 1.1657 11 0 1 84.42 1.65 1.1475 11 2 1 85.61 3.38 1.1345 9 4 3 89.59 1.27 1.0941 6 3 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.