Papagoite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040182 Groat L A, Hawthorne F C Mineralogy and Petrology 37 (1987) 89-96 Refinement of the structure of papagoite, CaCuAlSi2O6(OH)3 Locality: Ajo, Pima County, Arizona, USA Note: U(1,1)(O3) changed from .0068 to match reported Uiso CELL PARAMETERS: 12.9202 11.4900 4.6956 90.000 100.742 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.15530 0.50000 1.000 0.869 Cu 0.26873 0.50000 0.44610 1.000 0.608 Al 0.25000 0.25000 0.50000 1.000 0.403 Si 0.38740 0.13238 0.06780 1.000 0.387 O 0.20050 0.36970 0.22590 1.000 0.679 O 0.16310 0.12680 0.30730 1.000 0.584 O 0.42340 0.50000 0.23170 1.000 0.632 O 0.00000 0.31980 0.00000 1.000 0.869 O 0.36150 0.22090 0.30580 1.000 0.703 O 0.40130 0.00000 0.19310 1.000 0.869 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 10 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 9.711169393 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.38 1.17 8.5185 1 1 0 13.95 54.12 6.3469 2 0 0 19.24 39.92 4.6133 0 0 1 20.72 85.53 4.2874 -1 1 1 20.86 22.11 4.2593 2 2 0 21.60 7.92 4.1142 -2 0 1 22.39 4.67 3.9706 3 1 0 23.04 40.75 3.8595 1 1 1 24.27 6.33 3.6667 1 3 0 24.75 2.59 3.5971 0 2 1 25.91 52.56 3.4392 2 0 1 26.65 8.54 3.3449 -2 2 1 26.94 34.60 3.3092 -3 1 1 28.12 2.75 3.1734 4 0 0 30.29 9.70 2.9509 2 2 1 30.31 6.99 2.9489 -1 3 1 31.09 100.00 2.8769 -4 0 1 31.51 24.62 2.8395 3 3 0 31.99 58.79 2.7980 1 3 1 32.21 3.47 2.7787 3 1 1 32.23 2.13 2.7778 4 2 0 34.27 22.58 2.6170 2 4 0 34.88 10.34 2.5724 -4 2 1 34.97 3.06 2.5657 -3 3 1 36.24 19.22 2.4790 5 1 0 36.86 32.25 2.4384 0 4 1 37.26 8.12 2.4130 4 0 1 37.95 22.90 2.3710 -5 1 1 38.21 2.91 2.3552 -2 4 1 39.05 5.24 2.3067 0 0 2 39.16 4.30 2.3002 -1 1 2 39.28 11.32 2.2935 3 3 1 40.93 67.92 2.2047 2 4 1 41.83 3.63 2.1594 1 1 2 42.15 13.01 2.1437 -2 2 2 42.45 10.59 2.1296 4 4 0 43.62 3.65 2.0752 -6 0 1 44.02 6.94 2.0571 -4 0 2 44.21 1.63 2.0488 2 0 2 44.57 2.20 2.0327 -4 4 1 45.31 2.98 2.0016 -1 3 2 45.70 11.04 1.9853 6 2 0 47.09 3.31 1.9298 2 2 2 47.48 10.39 1.9150 0 6 0 47.58 15.91 1.9112 -3 3 2 47.70 3.85 1.9067 1 3 2 48.79 15.81 1.8666 -5 1 2 49.32 4.83 1.8476 4 4 1 50.71 8.27 1.8004 -2 4 2 50.71 1.21 1.8001 6 0 1 50.95 1.07 1.7923 3 5 1 51.68 1.15 1.7687 0 6 1 53.27 12.03 1.7196 4 0 2 53.33 3.51 1.7178 6 2 1 53.82 15.07 1.7035 6 4 0 54.55 5.93 1.6821 -6 4 1 54.90 4.49 1.6725 -4 4 2 55.06 36.77 1.6680 2 4 2 55.08 7.30 1.6674 -5 5 1 55.54 1.17 1.6546 -6 2 2 55.99 2.73 1.6422 -1 5 2 56.09 2.76 1.6396 4 6 0 56.12 5.58 1.6390 7 3 0 56.32 11.87 1.6337 -7 3 1 57.84 6.01 1.5941 -4 6 1 57.96 8.61 1.5912 -3 5 2 58.14 7.03 1.5867 8 0 0 59.20 7.98 1.5608 -7 1 2 59.50 1.06 1.5536 5 1 2 59.76 1.47 1.5475 -1 1 3 59.79 8.09 1.5468 -1 7 1 60.21 1.24 1.5369 5 5 1 60.23 1.47 1.5366 -8 2 1 60.66 1.29 1.5267 -3 1 3 60.72 14.27 1.5254 6 4 1 60.79 1.79 1.5237 1 7 1 61.85 1.39 1.5000 4 6 1 61.96 1.47 1.4977 -4 0 3 62.66 2.68 1.4827 -3 7 1 62.76 2.27 1.4806 -6 4 2 63.00 7.81 1.4754 4 4 2 63.10 1.81 1.4734 0 6 2 63.34 2.87 1.4683 7 3 1 64.18 1.70 1.4511 5 3 2 64.27 2.80 1.4493 -4 2 3 64.81 4.86 1.4385 -8 0 2 64.93 10.30 1.4362 0 8 0 65.01 1.85 1.4346 2 0 3 65.15 2.87 1.4319 6 0 2 65.29 4.29 1.4291 -3 3 3 65.33 2.19 1.4284 -5 1 3 65.58 3.90 1.4236 7 5 0 65.70 2.00 1.4212 8 0 1 65.76 1.36 1.4201 -7 5 1 66.06 3.86 1.4143 -9 1 1 66.78 5.19 1.4008 2 8 0 67.14 2.64 1.3942 -8 4 1 67.28 7.93 1.3916 1 3 3 68.01 3.66 1.3784 5 7 0 68.33 10.10 1.3727 -2 4 3 68.41 1.08 1.3713 0 8 1 69.28 4.26 1.3563 3 1 3 69.29 1.74 1.3560 -2 8 1 69.31 1.46 1.3557 0 4 3 69.93 1.29 1.3453 -1 7 2 71.14 3.42 1.3253 2 8 1 71.25 2.61 1.3235 9 3 0 71.76 1.49 1.3153 1 7 2 72.17 2.16 1.3090 -9 1 2 73.23 4.45 1.2925 4 0 3 73.29 3.77 1.2917 -1 5 3 73.73 10.86 1.2850 -4 8 1 73.88 2.66 1.2828 -6 6 2 74.10 1.89 1.2795 4 6 2 74.36 4.83 1.2756 9 1 1 74.49 2.34 1.2738 8 4 1 76.45 1.00 1.2459 -9 3 2 76.90 4.05 1.2398 -5 7 2 77.31 1.86 1.2342 4 8 1 77.66 6.49 1.2295 -7 3 3 78.38 1.57 1.2200 -5 5 3 78.40 3.02 1.2198 -2 8 2 78.61 1.05 1.2170 9 3 1 79.43 2.95 1.2065 8 0 2 79.78 1.88 1.2021 9 5 0 80.14 2.90 1.1976 -3 9 1 80.90 2.19 1.1883 6 8 0 82.48 1.93 1.1694 10 0 1 83.09 3.70 1.1624 -1 1 4 83.21 3.35 1.1611 10 4 0 83.89 1.36 1.1533 0 0 4 84.54 2.57 1.1461 -9 1 3 85.42 3.27 1.1366 -7 7 2 85.68 1.73 1.1338 5 7 2 86.57 1.25 1.1244 1 1 4 86.92 3.71 1.1208 -11 3 1 87.15 3.53 1.1184 -3 3 4 88.49 1.62 1.1049 11 3 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.