Adamsite-(Y) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070360 Grice J D, Gault R A, Roberts A C, Cooper M A The Canadian Mineralogist 38 (2000) 1457-1466 Adamsite-(Y), a new sodium-yttrium carbonate mineral species from Note: O8 y-coordinate altered Locality: Mont Saint-Hilaire, Quebec, Canada CELL PARAMETERS: 6.2520 13.0650 13.1870 90.550 103.780 90.360 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Y 0.31140 0.62581 0.00962 0.720 1.232 Dy 0.31140 0.62581 0.00962 0.060 1.232 Er 0.31140 0.62581 0.00962 0.050 1.232 Gd 0.31140 0.62581 0.00962 0.040 1.232 Nd 0.31140 0.62581 0.00962 0.030 1.232 Yb 0.31140 0.62581 0.00962 0.020 1.232 Sm 0.31140 0.62581 0.00962 0.020 1.232 Ho 0.31140 0.62581 0.00962 0.020 1.232 Ce 0.31140 0.62581 0.00962 0.010 1.232 Tb 0.31140 0.62581 0.00962 0.010 1.232 Tm 0.31140 0.62581 0.00962 0.010 1.232 Y 0.80160 0.87428 -0.01011 0.720 1.271 Dy 0.80160 0.87428 -0.01011 0.060 1.271 Er 0.80160 0.87428 -0.01011 0.050 1.271 Gd 0.80160 0.87428 -0.01011 0.040 1.271 Nd 0.80160 0.87428 -0.01011 0.030 1.271 Yb 0.80160 0.87428 -0.01011 0.020 1.271 Sm 0.80160 0.87428 -0.01011 0.020 1.271 Ho 0.80160 0.87428 -0.01011 0.020 1.271 Ce 0.80160 0.87428 -0.01011 0.010 1.271 Tb 0.80160 0.87428 -0.01011 0.010 1.271 Tm 0.80160 0.87428 -0.01011 0.010 1.271 Na 0.42320 0.62510 0.32430 1.000 2.842 Na 0.60220 0.87530 -0.32310 1.000 2.629 C 0.24000 0.87300 -0.04920 1.000 1.366 C 0.87200 0.87380 0.20920 1.000 1.824 C -0.21100 0.62690 0.04660 1.000 1.540 C 0.16900 0.62620 -0.21150 1.000 1.966 O 0.15130 0.78900 -0.03310 1.000 1.808 O 0.12170 0.95320 -0.04960 1.000 1.848 O 0.43500 0.87940 -0.06220 1.000 21.642 O 0.02960 0.86040 0.16080 1.000 1.627 O 0.67710 0.88860 0.15160 1.000 2.021 O 0.90900 0.87110 0.30790 1.000 2.606 O 0.33250 0.45310 -0.05060 1.000 1.753 O 0.68270 0.71130 0.03320 1.000 1.737 O -0.00490 0.62040 0.06120 1.000 2.132 O 0.03000 0.61140 -0.15240 1.000 2.006 O 0.37320 0.63950 -0.16020 1.000 1.737 O 0.11100 0.62780 -0.31040 1.000 2.606 Wa 0.67360 0.98510 -0.16620 1.000 2.061 Wa 0.71680 0.76570 -0.17140 1.000 1.769 Wa 0.33800 0.51530 0.16560 1.000 2.219 Wa 0.38660 0.73400 0.17140 1.000 1.934 Wa 0.77800 0.55490 0.40060 1.000 2.953 Wa 0.60500 0.79280 0.41100 1.000 3.190 Wa 0.41200 0.71260 -0.40580 1.000 3.079 Wa 0.89800 0.81020 -0.39010 1.000 3.206 Wa 0.23800 0.94810 -0.39080 1.000 3.016 Wa 0.12400 0.69020 0.38760 1.000 3.190 Wa 0.70400 0.54370 0.60080 1.000 3.300 Wa 0.69800 0.04110 -0.40790 1.000 2.929 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 11 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 45.31216145 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.90 100.00 12.8066 0 0 1 13.83 17.01 6.4033 0 0 2 19.88 8.07 4.4669 -1 2 0 19.92 7.48 4.4562 -1 2 1 19.99 7.88 4.4410 -1 -2 1 20.05 7.91 4.4278 1 2 0 20.81 8.12 4.2689 0 0 3 22.15 1.28 4.0138 1 -2 1 22.28 1.13 3.9906 -1 2 2 22.40 1.20 3.9682 1 2 1 24.78 1.25 3.5923 0 -2 3 25.05 1.63 3.5549 0 2 3 27.31 4.44 3.2660 0 4 0 28.12 3.56 3.1734 0 -4 1 28.28 3.75 3.1561 0 4 1 28.56 3.93 3.1259 -2 0 1 29.40 3.09 3.0377 -2 0 2 29.42 3.11 3.0359 2 0 0 30.88 1.23 2.8960 0 4 2 30.96 1.45 2.8879 0 -2 4 30.98 2.10 2.8869 -1 4 0 31.04 1.74 2.8807 -1 4 1 31.25 2.22 2.8620 0 2 4 31.31 2.16 2.8565 1 -2 3 31.37 2.27 2.8518 -1 -2 4 31.54 1.92 2.8369 -1 2 4 31.64 2.77 2.8274 1 2 3 32.63 1.32 2.7441 -1 -4 2 32.85 1.32 2.7263 1 4 1 34.38 2.60 2.6083 0 -4 3 34.78 2.86 2.5797 0 4 3 34.92 1.29 2.5696 2 2 1 35.03 5.26 2.5613 0 0 5 39.18 1.32 2.2995 0 -4 4 39.65 1.33 2.2734 0 4 4 40.30 1.09 2.2381 -2 0 5 40.35 1.07 2.2353 2 0 3 42.35 1.27 2.1344 0 0 6 43.60 1.02 2.0757 -1 -2 6 44.06 1.30 2.0553 -1 6 0 44.14 1.22 2.0519 -1 6 1 44.24 1.28 2.0474 -1 -6 1 44.32 1.61 2.0438 1 6 0 44.37 1.32 2.0418 1 -4 4 44.82 1.27 2.0223 -1 4 5 45.18 1.66 2.0069 2 -4 2 45.38 1.48 1.9985 -2 -4 4 45.46 1.65 1.9953 -2 4 4 45.73 1.22 1.9841 2 4 2 47.39 1.26 1.9183 1 -6 2 47.55 1.72 1.9124 -1 -6 3 47.94 1.51 1.8977 1 6 2 50.37 1.21 1.8115 1 -2 6 50.65 1.12 1.8022 -1 2 7 50.74 1.07 1.7992 1 2 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.