Cyrilovite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060504 Cozzupoli D, Grubessi O, Mottana A, Zanazzi P F Mineralogy and Petrology 37 (1987) 1-14 Cyrilovite from Italy: structure and crystal chemistry Locality: Bosa, Sardinia, Italy CELL PARAMETERS: 7.2790 7.2790 19.3200 90.000 90.000 90.000 SPACE GROUP: P4_12_12 ATOM X Y Z OCCUPANCY ISO(B) Na 0.37550 0.37550 0.50000 1.000 1.724 Fe 0.39530 0.10820 0.25770 1.000 0.792 Fe 0.10350 0.10350 0.00000 1.000 0.734 P 0.14110 0.36600 0.35020 1.000 0.732 O 0.29500 0.50650 0.33870 1.000 1.161 O 0.19810 0.18010 0.31970 1.000 1.511 O 0.10580 0.34870 0.42850 1.000 0.966 OH 0.13790 0.35290 -0.04310 1.000 1.148 O 0.17540 0.02530 0.18880 1.000 1.408 OH 0.41060 0.34920 0.21090 1.000 0.940 Wa -0.03310 0.42520 0.31390 1.000 1.361 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 17 MAX. ABS. INTENSITY / VOLUME**2: 10.34902697 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.00 3.61 6.8116 1 0 1 15.24 31.90 5.8134 1 0 2 17.23 43.30 5.1470 1 1 0 17.83 1.04 4.9736 1 1 1 18.37 74.18 4.8300 0 0 4 18.39 79.22 4.8232 1 0 3 19.54 8.42 4.5425 1 1 2 22.09 7.05 4.0246 1 0 4 22.11 13.19 4.0207 1 1 3 24.46 6.84 3.6395 2 0 0 24.90 62.32 3.5766 2 0 1 27.40 4.27 3.2553 2 1 0 27.79 54.19 3.2100 2 1 1 28.16 100.00 3.1685 2 0 3 28.89 26.49 3.0901 1 1 5 28.94 37.06 3.0848 2 1 2 30.35 5.11 2.9447 1 0 6 30.76 9.25 2.9067 2 0 4 30.78 8.15 2.9052 2 1 3 32.81 1.79 2.7298 1 1 6 33.83 88.61 2.6493 2 0 5 34.76 1.30 2.5807 1 0 7 35.18 4.78 2.5510 2 2 1 36.08 4.75 2.4896 2 1 5 36.12 29.33 2.4868 2 2 2 37.29 1.18 2.4116 2 0 6 37.64 1.45 2.3898 2 2 3 39.31 13.79 2.2921 1 0 8 39.36 1.45 2.2893 2 1 6 39.70 1.44 2.2705 3 0 3 40.28 1.84 2.2391 3 1 2 41.04 32.25 2.1992 2 0 7 41.66 17.91 2.1681 3 0 4 41.67 3.04 2.1675 3 1 3 42.19 5.62 2.1419 2 2 5 42.96 3.47 2.1052 2 1 7 43.56 1.27 2.0779 3 1 4 43.98 3.02 2.0590 1 0 9 44.07 5.99 2.0548 3 0 5 45.10 40.84 2.0103 2 2 6 45.16 1.06 2.0079 3 2 1 45.89 14.26 1.9775 3 1 5 45.92 1.57 1.9761 3 2 2 47.18 2.61 1.9264 3 2 3 48.36 2.55 1.8822 2 2 7 48.62 1.52 1.8726 3 1 6 48.77 2.18 1.8673 1 0 10 48.90 2.42 1.8627 3 2 4 49.28 10.98 1.8490 2 0 9 50.05 3.99 1.8223 3 0 7 50.13 29.61 1.8197 4 0 0 50.37 6.67 1.8117 4 0 1 50.45 1.40 1.8088 1 1 10 50.96 1.28 1.7921 2 1 9 52.02 1.57 1.7581 4 1 1 52.24 1.38 1.7512 4 0 3 52.71 1.28 1.7367 4 1 2 53.40 3.56 1.7157 3 3 0 53.54 2.88 1.7117 3 0 8 53.58 4.08 1.7105 3 2 6 53.63 1.48 1.7090 3 3 1 53.84 16.07 1.7029 4 0 4 53.85 2.75 1.7026 4 1 3 55.12 1.62 1.6662 3 1 8 55.26 1.25 1.6622 1 1 11 55.29 1.29 1.6614 2 1 10 55.42 1.33 1.6579 3 3 3 55.84 3.70 1.6463 4 0 5 56.47 3.71 1.6294 3 2 7 56.76 7.79 1.6219 4 2 1 57.22 5.11 1.6100 0 0 12 57.38 1.55 1.6058 4 1 5 57.41 6.78 1.6050 4 2 2 58.34 4.85 1.5818 2 0 11 58.49 26.65 1.5780 4 2 3 59.70 2.77 1.5489 3 2 8 59.74 2.07 1.5480 4 1 6 59.86 38.70 1.5451 2 2 10 59.98 1.71 1.5424 4 2 4 60.99 1.13 1.5192 4 0 7 61.85 16.03 1.5000 4 2 5 62.79 1.42 1.4798 3 1 10 63.23 1.04 1.4706 3 2 9 63.93 1.74 1.4561 1 0 13 64.07 9.30 1.4533 4 0 8 64.11 5.70 1.4526 4 2 6 64.20 4.41 1.4507 2 2 11 64.58 2.43 1.4431 2 1 12 64.76 3.30 1.4395 5 0 2 65.37 2.72 1.4275 5 1 0 65.49 3.13 1.4252 4 1 8 65.62 1.61 1.4227 3 0 11 65.76 1.47 1.4200 4 3 3 66.72 8.11 1.4020 4 2 7 67.05 1.74 1.3958 3 2 10 67.17 1.35 1.3937 5 1 3 68.16 4.10 1.3759 2 0 13 69.53 5.68 1.3519 2 1 13 70.15 1.24 1.3415 3 0 12 70.33 5.29 1.3386 5 2 2 71.15 1.14 1.3251 3 2 11 72.94 3.31 1.2970 4 2 9 73.61 6.88 1.2868 4 4 0 73.80 3.03 1.2839 4 4 1 74.35 1.35 1.2759 5 2 5 74.93 1.02 1.2673 3 0 13 76.39 3.37 1.2468 4 3 8 76.53 1.27 1.2448 4 2 10 76.63 2.30 1.2434 4 4 4 78.67 1.67 1.2162 2 2 14 78.83 4.67 1.2142 2 0 15 79.48 2.83 1.2058 4 0 12 80.20 2.41 1.1968 3 2 13 80.58 2.77 1.1922 6 0 3 80.66 1.06 1.1912 1 0 16 80.93 1.69 1.1879 5 3 5 81.87 2.99 1.1766 6 0 4 83.52 2.56 1.1575 6 0 5 84.29 2.23 1.1489 6 2 1 84.84 6.02 1.1428 6 2 2 85.39 1.01 1.1369 4 1 13 85.51 2.73 1.1356 4 4 8 85.76 2.31 1.1330 6 2 3 86.91 1.32 1.1208 4 3 11 87.05 1.44 1.1195 5 4 3 87.92 2.00 1.1106 6 0 7 89.20 1.10 1.0979 6 1 7 89.25 3.53 1.0975 4 2 13 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.