Gonnardite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100081 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 _database_code_amcsd 0003722 CELL PARAMETERS: 13.1080 13.1080 6.6020 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: +/- 12 +/- 12 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 8.442833750 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.51 21.36 6.5540 2 0 0 15.03 58.73 5.8963 1 0 1 19.15 31.57 4.6344 2 2 0 20.26 44.86 4.3835 2 1 1 21.44 21.84 4.1451 3 1 0 27.21 2.96 3.2770 4 0 0 28.02 52.21 3.1846 3 2 1 28.71 19.85 3.1097 1 1 2 30.32 37.09 2.9482 2 0 2 30.50 3.69 2.9310 4 2 0 31.23 100.00 2.8644 4 1 1 34.74 15.28 2.5822 3 1 2 34.90 3.32 2.5707 5 1 0 36.89 19.90 2.4365 4 3 1 38.72 8.41 2.3256 4 0 2 38.86 6.85 2.3172 4 4 0 39.46 3.95 2.2838 5 2 1 39.97 8.98 2.2557 3 3 2 40.11 1.68 2.2480 5 3 0 41.19 24.13 2.1917 4 2 2 41.33 7.08 2.1847 6 0 0 43.67 1.57 2.0726 6 2 0 43.95 2.10 2.0603 2 1 3 46.19 4.38 1.9654 3 0 3 46.44 3.17 1.9553 5 4 1 48.35 7.43 1.8826 3 2 3 49.03 1.74 1.8581 5 3 2 50.19 12.08 1.8178 6 4 0 50.43 12.82 1.8094 4 1 3 50.67 5.61 1.8015 7 0 1 52.11 5.72 1.7553 6 2 2 52.69 3.58 1.7371 7 2 1 53.22 12.92 1.7212 7 3 0 54.44 4.26 1.6855 5 0 3 55.69 6.58 1.6505 0 0 4 56.13 1.51 1.6385 8 0 0 56.36 3.07 1.6324 5 2 3 56.58 9.14 1.6266 6 5 1 56.97 6.51 1.6163 5 5 2 56.97 2.05 1.6163 7 1 2 57.59 1.24 1.6005 2 0 4 58.02 2.01 1.5896 8 2 0 58.46 3.36 1.5787 8 1 1 58.46 1.44 1.5787 7 4 1 60.09 3.09 1.5397 6 1 3 60.36 3.94 1.5334 3 1 4 60.68 3.21 1.5262 7 3 2 61.91 2.60 1.4989 5 4 3 63.37 7.67 1.4676 8 0 2 63.48 4.57 1.4655 8 4 0 63.69 2.78 1.4612 6 3 3 64.83 2.00 1.4382 4 2 4 65.65 4.13 1.4222 9 0 1 67.18 1.14 1.3935 7 2 3 67.43 5.27 1.3889 5 1 4 67.73 2.93 1.3835 7 5 2 69.08 1.33 1.3597 8 5 1 69.98 3.38 1.3443 4 4 4 70.28 2.42 1.3394 8 4 2 70.58 2.21 1.3345 6 5 3 70.82 5.40 1.3304 5 3 4 71.12 1.13 1.3257 9 1 2 71.66 2.97 1.3169 6 0 4 72.05 1.46 1.3108 10 0 0 72.25 4.90 1.3077 8 1 3 72.25 1.06 1.3077 7 4 3 72.44 3.07 1.3047 9 4 1 74.44 2.39 1.2746 9 3 2 76.80 1.54 1.2411 3 2 5 78.43 3.28 1.2194 4 1 5 78.51 1.45 1.2183 10 0 2 78.61 5.13 1.2170 10 4 0 78.99 5.58 1.2121 8 7 1 80.65 7.06 1.1913 7 3 4 80.93 2.66 1.1879 9 5 2 82.20 1.04 1.1727 11 0 1 83.80 1.67 1.1544 11 2 1 85.21 3.37 1.1388 9 4 3 89.60 1.25 1.0940 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.