Parisite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120061 Ni Y, Post J E, Hughes J M American Mineralogist 85 (2000) 251-258 The crystal structure of parisite-(Ce), Ce2CaF(CO3)3 sample: from Muso Mine, Columbia _database_code_amcsd 0002349 CELL PARAMETERS: 12.2930 7.1060 28.3180 90.000 98.210 90.000 SPACE GROUP: Cc ATOM X Y Z OCCUPANCY ISO(B) Ce 0.47300 0.24480 0.16300 1.000 0.316 Ce 0.80237 0.25190 0.16344 1.000 0.490 Ce 0.14029 0.25470 0.16362 1.000 0.205 Ce 0.52991 0.24330 0.33671 1.000 0.347 Ce 0.19867 0.25220 0.33687 1.000 0.189 Ce 0.85919 0.24870 0.33632 1.000 0.537 Ca 0.08380 0.26000 -0.00010 0.970 0.189 Ce 0.08380 0.26000 -0.00010 0.030 0.189 Ca 0.41300 0.25430 0.99960 0.980 0.229 Ce 0.41300 0.25430 0.99960 0.020 0.229 Ca 0.74710 0.24340 0.00080 0.980 0.253 Ce 0.74710 0.24340 0.00080 0.020 0.253 F 0.97000 0.08300 0.16330 1.000 0.632 F 0.29810 0.08200 0.14810 1.000 0.474 F 0.64500 0.08400 0.17990 1.000 1.184 F 0.02800 0.08000 0.33840 1.000 0.711 F 0.69040 0.08000 0.32130 1.000 0.474 F 0.36800 0.08600 0.35350 1.000 1.184 O 0.39000 0.31700 0.08030 1.000 1.263 O 0.24300 0.42700 0.03780 1.000 1.105 O 0.26400 0.44700 0.11470 1.000 1.500 O 0.09800 0.13400 0.08010 1.000 0.869 O 0.59100 0.38200 0.03430 1.000 1.500 O 0.62100 0.34700 0.11160 1.000 1.184 O 0.83800 0.29800 0.07930 1.000 0.947 O 0.98500 0.44500 0.11290 1.000 0.869 O 0.94100 0.43100 0.03280 1.000 1.105 O 0.10600 0.29500 0.25100 1.000 0.869 O 0.95900 0.43500 0.21140 1.000 1.342 O 0.98500 0.43600 0.28840 1.000 1.342 O 0.83600 0.13200 0.25080 1.000 1.421 O 0.34800 0.37900 0.29160 1.000 0.869 O 0.32400 0.36400 0.21180 1.000 0.790 O 0.55500 0.31900 0.25050 1.000 0.632 O 0.70000 0.44700 0.29060 1.000 0.790 O 0.67900 0.45300 0.21130 1.000 0.711 O 0.95100 0.29200 0.42050 1.000 1.421 O 0.07900 0.44300 0.38570 1.000 0.474 O 0.08360 0.43200 0.46780 1.000 0.237 O 0.50500 0.31500 0.42180 1.000 1.895 O 0.34600 0.44900 0.38990 1.000 1.026 O 0.39610 0.42500 0.46950 1.000 0.237 O 0.71000 0.34700 0.38770 1.000 0.869 O 0.21100 0.13400 0.42190 1.000 0.711 O 0.73700 0.39300 0.46870 1.000 0.553 C 0.29300 0.40300 0.07680 1.000 1.421 C 0.60800 0.45300 0.07440 1.000 0.474 C 0.92000 0.39500 0.07630 1.000 0.158 C 0.01200 0.38900 0.25200 1.000 1.342 C 0.34100 0.45300 0.25050 1.000 0.711 C 0.64600 0.40700 0.24920 1.000 0.395 C 0.03800 0.39300 0.42340 1.000 0.079 C 0.40600 0.40300 0.42580 1.000 1.026 C 0.72300 0.44700 0.42400 1.000 0.947 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 6 +/- 25 MAX. ABS. INTENSITY / VOLUME**2: 41.04546304 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.31 100.00 14.0139 0 0 2 12.63 39.33 7.0069 0 0 4 19.00 78.25 4.6713 0 0 6 25.06 41.99 3.5530 0 2 0 25.09 82.90 3.5498 -3 1 1 25.27 1.90 3.5248 0 2 1 25.28 2.23 3.5224 3 1 0 25.30 2.20 3.5209 -3 1 2 25.42 2.29 3.5035 0 0 8 25.87 6.15 3.4440 0 2 2 25.88 6.71 3.4424 3 1 1 25.90 6.53 3.4397 -3 1 3 28.16 10.37 3.1689 0 2 4 28.16 9.90 3.1687 3 1 3 28.20 10.05 3.1645 -3 1 5 29.77 4.83 3.0013 3 1 4 29.77 5.28 3.0010 0 2 5 29.81 5.07 2.9968 -3 1 6 31.63 56.50 2.8286 3 1 5 31.64 56.08 2.8279 0 2 6 31.68 56.91 2.8240 -3 1 7 31.93 6.55 2.8028 0 0 10 35.99 1.33 2.4956 3 1 7 36.00 1.14 2.4947 0 2 8 36.05 1.12 2.4915 -3 1 9 38.55 20.99 2.3356 0 0 12 39.73 1.28 2.2688 -2 2 9 41.00 6.59 2.2015 3 1 9 41.02 6.56 2.2005 0 2 10 41.07 6.69 2.1980 -3 1 11 44.16 50.64 2.0507 -3 3 1 44.21 25.31 2.0488 -6 0 2 44.65 2.07 2.0294 3 3 1 44.67 1.99 2.0288 -3 3 3 44.69 1.09 2.0278 6 0 0 46.11 3.00 1.9687 3 3 3 46.13 3.16 1.9676 -3 3 5 46.14 1.48 1.9675 6 0 2 46.19 1.61 1.9655 -6 0 6 46.51 26.37 1.9527 3 1 11 46.53 26.05 1.9517 0 2 12 46.58 25.68 1.9497 -3 1 13 48.46 20.77 1.8784 3 3 5 48.48 10.38 1.8776 6 0 4 48.50 20.62 1.8771 -3 3 7 48.56 10.30 1.8750 -6 0 8 51.44 5.35 1.7765 0 4 0 51.49 10.63 1.7749 -6 2 2 51.88 1.12 1.7624 0 4 2 51.92 1.07 1.7612 6 2 0 51.94 1.00 1.7604 -6 2 4 52.22 2.70 1.7517 0 0 16 53.19 1.94 1.7220 0 4 4 53.22 1.92 1.7212 6 2 2 53.26 1.99 1.7199 -6 2 6 55.33 12.97 1.6605 0 4 6 55.34 12.94 1.6601 6 2 4 55.41 12.90 1.6582 -6 2 8 55.50 2.79 1.6558 3 3 9 55.51 1.36 1.6555 6 0 8 55.55 2.85 1.6543 -3 3 11 55.62 1.43 1.6525 -6 0 12 58.74 2.21 1.5719 3 1 15 58.77 2.25 1.5712 0 2 16 58.82 2.27 1.5698 -3 1 17 59.35 3.52 1.5571 0 0 18 60.00 8.71 1.5418 3 3 11 60.01 4.35 1.5417 6 0 10 60.07 8.79 1.5403 -3 3 13 60.13 4.39 1.5388 -6 0 14 61.83 1.52 1.5006 6 2 8 61.83 1.57 1.5005 0 4 10 61.93 1.57 1.4984 -6 2 12 65.41 6.03 1.4268 3 1 17 65.44 6.04 1.4262 0 2 18 65.50 6.08 1.4251 -3 1 19 66.06 6.59 1.4143 6 2 10 66.08 6.51 1.4140 0 4 12 66.18 6.37 1.4120 -6 2 14 70.08 4.10 1.3427 -3 5 1 70.11 4.12 1.3422 -6 4 2 70.16 4.09 1.3413 -9 1 3 70.69 1.09 1.3327 6 0 14 70.69 2.19 1.3326 3 3 15 70.77 2.22 1.3313 -3 3 17 70.84 1.10 1.3302 -6 0 18 73.35 5.33 1.2907 3 5 5 73.37 5.39 1.2904 6 4 4 73.38 5.31 1.2903 -3 5 7 73.41 5.40 1.2899 9 1 3 73.43 5.40 1.2896 -6 4 8 73.49 5.40 1.2886 -9 1 9 74.48 1.62 1.2740 0 0 22 76.31 1.17 1.2478 6 2 14 76.35 1.18 1.2473 0 4 16 76.46 1.22 1.2457 -6 2 18 76.82 1.95 1.2409 6 0 16 76.83 3.87 1.2407 3 3 17 76.92 3.84 1.2395 -3 3 19 76.99 1.93 1.2386 -6 0 20 79.97 1.22 1.1997 3 1 21 80.01 1.24 1.1992 0 2 22 80.07 1.24 1.1985 -3 1 23 81.22 2.63 1.1843 0 6 0 81.31 5.18 1.1833 -9 3 3 82.31 3.76 1.1715 6 2 16 82.35 3.79 1.1710 0 4 18 82.47 3.79 1.1695 -6 2 20 82.62 2.18 1.1678 0 0 24 82.92 3.39 1.1644 3 5 11 82.92 3.37 1.1644 6 4 10 82.94 3.40 1.1641 9 1 9 82.97 3.36 1.1638 -3 5 13 83.03 3.32 1.1631 -6 4 14 83.11 3.29 1.1622 -9 1 15 84.37 4.17 1.1480 0 6 6 84.42 4.26 1.1475 9 3 3 84.50 4.22 1.1466 -9 3 9 87.99 2.74 1.1099 3 1 23 88.03 2.67 1.1094 0 2 24 88.10 2.67 1.1088 -3 1 25 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.