Quadridavyne Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R141084 Bonaccorsi E, Merlino S, Orlandi P, Pasero M, Vezzalini G European Journal of Mineralogy 6 (1994) 481-487 Quadridavyne, [(Na,K)6Cl2][Ca2Cl2][Si6Al6O24], a new feldspathoid mineral from Vesuvius area Note: Cl1 y-coordinate altered Locality: Vesuvius, Italy _database_code_amcsd 0006545 CELL PARAMETERS: 25.7290 25.7290 5.3590 90.000 90.000 120.000 SPACE GROUP: P6_3/m ATOM X Y Z OCCUPANCY ISO(B) Na 0.05200 0.10600 0.25000 0.280 1.500 K 0.05200 0.10600 0.25000 0.100 1.500 Na 0.06800 0.13900 0.25000 0.240 1.500 K 0.06800 0.13900 0.25000 0.120 1.500 Na 0.09100 0.18200 0.25000 0.200 1.500 K 0.09100 0.18200 0.25000 0.060 1.500 Na 0.39100 0.43900 0.25000 1.000 1.500 Na 0.58700 0.41400 0.25000 1.000 1.500 K 0.59100 0.68300 0.25000 1.000 1.500 Si 0.16150 0.20490 0.75000 1.000 0.500 Si 0.29210 0.45970 0.75000 1.000 0.500 Si 0.04100 0.33500 0.75000 1.000 0.500 Si 0.20820 0.54080 0.25000 1.000 0.500 Al 0.03450 0.20820 0.75000 1.000 0.600 Al 0.29900 0.33300 0.75000 1.000 0.600 Al 0.16800 0.46400 0.75000 1.000 0.600 Al 0.20900 0.66920 0.25000 1.000 0.600 O 0.10500 0.21500 0.75000 1.000 1.000 O 0.06000 0.28440 0.75000 1.000 1.000 O 0.17200 0.00200 0.02000 1.000 1.000 O 0.29400 0.39900 0.75000 1.000 1.000 O 0.21100 0.27300 0.75000 1.000 1.000 O 0.66700 -0.00500 0.02100 1.000 1.000 O 0.66900 0.50600 0.50800 1.000 1.000 O 0.10600 0.39800 0.75000 1.000 1.000 O 0.22300 0.44500 0.75000 1.000 1.000 O 0.17400 0.51100 0.99300 1.000 1.000 O 0.22000 0.60800 0.25000 1.000 1.000 O 0.27600 0.55300 0.25000 1.000 1.000 Ca 0.66667 0.33333 0.75000 1.000 1.300 Cl 0.66667 0.33333 0.25000 1.000 1.000 Ca 0.33400 0.16900 0.25000 1.000 1.300 Cl 0.31300 0.15610 0.75000 1.000 1.000 Cl -0.01800 0.02400 0.25000 0.167 1.000 Cl 0.02900 0.04700 0.25000 0.167 1.000 Cl 0.52900 0.54700 0.25000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 20 +/- 20 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 7.412928840 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.94 72.57 11.1410 2 0 0 10.50 4.19 8.4218 1 2 0 10.50 4.70 8.4218 2 1 0 11.92 2.00 7.4273 3 0 0 13.77 11.55 6.4323 2 2 0 17.35 1.14 5.1118 2 3 0 17.35 3.24 5.1118 3 2 0 17.93 2.48 4.9469 1 1 1 18.37 82.91 4.8293 2 0 1 19.63 1.67 4.5213 2 1 1 20.44 1.08 4.3459 3 0 1 20.71 1.07 4.2882 3 3 0 21.10 1.70 4.2109 2 4 0 21.10 11.93 4.2109 4 2 0 22.21 1.74 4.0020 5 1 0 23.96 100.00 3.7137 6 0 0 24.06 2.20 3.6989 3 2 1 24.72 3.31 3.6010 4 1 1 26.00 1.16 3.4265 5 0 1 26.93 47.09 3.3110 2 4 1 26.93 43.63 3.3110 4 2 1 27.74 3.03 3.2161 4 4 0 28.03 2.42 3.1831 3 5 0 28.03 1.38 3.1831 7 0 0 28.89 5.85 3.0900 2 6 0 28.89 5.85 3.0900 6 2 0 29.54 2.11 3.0241 4 3 1 30.09 4.09 2.9699 5 2 1 30.28 1.25 2.9513 1 7 0 31.17 5.27 2.8697 1 6 1 31.17 1.56 2.8697 6 1 1 31.35 2.92 2.8529 5 4 0 31.88 1.19 2.8073 3 6 0 32.14 36.82 2.7852 8 0 0 32.72 2.40 2.7368 3 5 1 32.72 5.21 2.7368 5 3 1 32.90 1.15 2.7222 2 7 0 33.44 61.00 2.6795 0 0 2 33.48 12.39 2.6769 2 6 1 33.48 6.63 2.6769 6 2 1 34.39 1.40 2.6079 8 1 0 34.42 2.91 2.6052 2 0 2 35.11 1.32 2.5559 6 4 0 35.65 1.98 2.5183 5 4 1 35.82 1.23 2.5069 3 7 0 36.12 1.01 2.4867 3 6 1 36.12 3.57 2.4867 6 3 1 36.32 9.87 2.4735 2 2 2 36.35 38.32 2.4714 8 0 1 36.98 2.65 2.4312 2 8 0 36.98 1.48 2.4312 8 2 0 37.04 1.03 2.4270 7 2 1 37.91 1.34 2.3732 3 2 2 38.54 1.47 2.3358 5 6 0 38.83 2.54 2.3194 5 5 1 39.69 4.00 2.2707 3 7 1 39.88 1.15 2.2606 2 4 2 39.88 1.68 2.2606 4 2 2 40.12 1.92 2.2475 9 0 1 41.77 1.02 2.1627 3 4 2 42.15 27.78 2.1441 6 6 0 42.96 1.05 2.1054 4 8 0 42.96 2.31 2.1054 8 4 0 43.98 17.79 2.0586 4 4 2 44.77 1.47 2.0244 2 6 2 44.77 3.54 2.0244 6 2 2 46.14 1.31 1.9673 1 10 1 46.33 1.76 1.9596 4 8 1 46.33 2.32 1.9596 8 4 1 47.06 18.53 1.9310 8 0 2 48.57 2.70 1.8746 10 2 1 48.57 4.43 1.8746 2 10 1 48.72 1.20 1.8689 8 1 2 49.06 1.68 1.8568 12 0 0 49.78 1.82 1.8316 8 6 0 50.19 1.53 1.8176 1 11 1 50.70 11.27 1.8005 8 2 2 50.70 13.84 1.8005 2 8 2 51.21 2.63 1.7840 4 10 0 51.21 1.36 1.7840 10 4 0 51.84 3.55 1.7638 2 0 3 52.65 1.06 1.7384 2 11 1 52.82 8.48 1.7331 8 6 1 52.82 4.40 1.7331 6 8 1 55.48 2.50 1.6562 11 4 0 55.51 1.67 1.6555 4 8 2 55.91 4.03 1.6445 2 4 3 55.91 4.10 1.6445 4 2 3 56.85 2.36 1.6195 12 2 1 57.29 9.64 1.6081 8 8 0 57.94 1.46 1.5916 10 6 0 57.94 2.15 1.5916 14 0 0 59.80 2.24 1.5465 2 6 3 59.80 1.10 1.5465 6 2 3 60.68 3.21 1.5262 12 0 2 60.70 1.16 1.5257 6 10 1 60.70 1.62 1.5257 10 6 1 60.70 1.06 1.5257 14 0 1 61.69 7.98 1.5037 8 0 3 62.57 1.14 1.4845 4 12 1 62.99 1.51 1.4757 2 14 0 66.35 1.36 1.4088 11 4 2 67.23 3.26 1.3926 16 0 0 67.99 19.30 1.3788 8 8 2 68.58 1.47 1.3684 14 0 2 68.58 2.47 1.3684 10 6 2 69.77 14.45 1.3479 16 0 1 70.26 9.66 1.3398 0 0 4 70.69 1.23 1.3326 2 10 3 73.23 3.29 1.2926 14 2 2 73.23 5.06 1.2926 2 14 2 74.15 2.64 1.2788 8 6 3 74.15 1.29 1.2788 6 8 3 74.96 1.43 1.2670 2 16 1 75.43 4.06 1.2602 6 0 4 75.51 1.10 1.2591 10 8 2 76.64 2.72 1.2434 12 6 2 76.64 3.83 1.2434 6 12 2 77.04 2.44 1.2379 18 0 0 77.20 4.58 1.2357 16 0 2 79.36 3.52 1.2073 8 0 4 85.46 2.43 1.1362 6 6 4 89.16 6.38 1.0983 16 0 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.