Raslakite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070071 Ekimenkova I A, Rastsvetaeva R K, Chukanov N V Doklady Chemistry 374 (2000) 195-198 Ordering of calcium and iron in a mineral of the eudialyte group with the symmetry R3 Locality: Lovozero massif, Kola Peninsula, Russia CELL PARAMETERS: 14.2180 14.2180 30.1260 90.000 90.000 120.000 SPACE GROUP: R3 ATOM X Y Z OCCUPANCY ISO(B) Zr 0.33340 0.16670 0.16660 1.000 1.650 Si 0.13960 0.06620 0.08190 1.000 1.530 Si 0.52620 0.25970 0.25200 1.000 1.640 Si 0.45850 0.54200 0.25820 1.000 1.360 Si 0.20840 0.41680 0.07560 1.000 1.640 Si 0.27120 0.32580 0.23710 1.000 1.290 Si 0.05750 0.32790 0.23690 1.000 1.150 Si 0.99140 0.60300 0.09680 1.000 1.240 Si 0.99360 0.39130 0.09690 1.000 1.080 Ol 0.06170 0.12250 0.07820 1.000 2.400 O 0.22360 0.10480 0.04120 1.000 3.100 O 0.18860 0.08910 0.13200 1.000 3.000 O 0.26350 0.23050 0.20740 1.000 2.300 O 0.25870 0.29690 0.28950 1.000 1.900 O 0.17890 0.35190 0.21950 1.000 1.600 O 0.39040 0.43160 0.22630 1.000 2.200 O 0.02490 0.51060 0.30540 1.000 1.900 O 0.21390 0.60740 0.25290 0.500 2.600 O 0.39600 0.61100 0.27250 0.500 4.100 O 0.05300 0.43690 0.22690 1.000 2.700 O 0.04370 0.29920 0.28940 1.000 1.900 O 0.17710 0.35820 0.02970 1.000 2.700 O 0.27170 0.54340 0.07240 1.000 4.200 O 0.10640 0.38990 0.10660 1.000 2.200 Ol 0.27720 0.37770 0.10750 1.000 2.000 O 0.43780 0.21320 0.28970 1.000 3.000 Ol 0.47500 0.23370 0.20390 1.000 2.600 O 0.60500 0.21000 0.25630 1.000 2.000 O 0.26000 0.02770 0.20670 1.000 2.400 O 0.62560 0.03520 0.04490 1.000 2.100 O 0.40540 0.29970 0.12660 1.000 2.300 O 0.02070 0.51370 0.11320 1.000 2.200 O 0.62180 0.58850 0.04510 1.000 1.900 O 0.40880 0.10390 0.12690 1.000 2.200 Fe 0.00050 0.26420 0.00010 0.733 1.730 Ca 0.00050 0.26420 0.00010 0.167 1.730 Mn 0.00050 0.26420 0.00010 0.100 1.730 Ca 0.25960 0.26010 0.00000 0.900 1.610 Ce 0.25960 0.26010 0.00000 0.100 1.610 Zr 0.50210 0.00650 -0.00040 0.267 1.790 Hf 0.50210 0.00650 -0.00040 0.033 1.790 Mn 0.14960 0.30250 0.33650 0.200 1.070 Na 0.52290 0.05150 -0.00420 0.500 2.040 Nb 0.33333 0.66667 0.29420 0.200 2.560 Ti 0.33333 0.66667 0.29420 0.150 2.560 Mg 0.33333 0.66667 0.29420 0.150 2.560 Si 0.33333 0.66667 0.24770 0.400 2.100 Al 0.33333 0.66667 0.24770 0.100 2.100 Si 0.33333 0.66667 0.08770 0.500 1.800 Si 0.33333 0.66667 0.05050 0.400 2.000 Al 0.33333 0.66667 0.05050 0.100 2.000 Na 0.25620 0.52440 0.18550 0.450 4.400 Na 0.17200 0.56600 0.16050 0.350 5.300 Na 0.37800 0.55200 0.16290 0.200 6.000 Na 0.55360 0.44250 0.17770 0.380 2.490 Ca 0.55360 0.44250 0.17770 0.070 2.490 Na 0.58490 0.41590 0.16330 0.518 3.300 Ca 0.58490 0.41590 0.16330 0.032 3.300 Na 0.45950 0.23040 0.04950 0.933 2.600 Ca 0.45950 0.23040 0.04950 0.067 2.600 Na 0.22160 0.10980 0.28200 0.400 2.620 Sr 0.22160 0.10980 0.28200 0.050 2.620 K 0.22160 0.10980 0.28200 0.050 2.620 Na 0.19400 0.09800 0.28930 0.466 1.930 Sr 0.19400 0.09800 0.28930 0.017 1.930 K 0.19400 0.09800 0.28930 0.017 1.930 Na 0.10970 0.21620 0.15350 1.000 4.300 O 0.19700 0.59100 0.00630 0.150 1.500 OH 0.19700 0.59100 0.00630 0.050 1.500 O 0.00000 0.00000 0.33300 0.380 6.400 OH 0.00000 0.00000 0.33300 0.120 6.400 O 0.62340 0.39590 -0.00250 0.380 4.800 OH 0.62340 0.39590 -0.00250 0.120 4.800 O 0.33333 0.66667 0.14020 0.380 1.200 OH 0.33333 0.66667 0.14020 0.120 1.200 O 0.33333 0.66667 0.19680 0.380 4.300 OH 0.33333 0.66667 0.19680 0.120 4.300 Cl 0.00000 0.00000 0.23430 0.500 3.200 Cl 0.00000 0.00000 0.25920 0.300 3.200 Cl 0.00000 0.00000 0.28690 0.200 4.800 Wa 0.66667 0.33333 0.08480 0.750 3.100 Wa 0.66667 0.33333 0.10540 0.250 5.400 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 11 +/- 27 MAX. ABS. INTENSITY / VOLUME**2: 7.958732975 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.76 13.23 11.3979 1 0 1 8.81 1.28 10.0420 0 0 3 9.28 1.78 9.5333 0 1 2 12.45 57.38 7.1090 1 1 0 13.78 18.91 6.4249 1 0 4 14.69 10.47 6.0319 0 2 1 15.55 38.58 5.6989 2 0 2 16.38 7.14 5.4120 0 1 5 17.66 1.89 5.0210 0 0 6 18.61 2.97 4.7667 0 2 4 19.97 1.06 4.4465 -1 3 2 19.97 1.17 4.4465 1 2 2 20.63 43.14 4.3062 2 0 5 21.65 5.68 4.1044 3 0 0 21.67 12.65 4.1012 1 1 6 21.67 12.69 4.1012 2 -1 6 21.88 4.06 4.0627 1 0 7 22.46 8.61 3.9591 2 1 4 22.46 8.40 3.9591 3 -1 4 23.41 28.08 3.7993 3 0 3 24.16 2.98 3.6832 1 2 5 24.16 2.76 3.6832 -1 3 5 24.72 6.65 3.6011 0 1 8 25.05 22.28 3.5545 2 2 0 25.25 16.84 3.5273 0 2 7 26.26 14.77 3.3933 1 3 1 26.26 14.85 3.3933 -1 4 1 26.60 1.40 3.3508 4 -2 3 26.60 1.48 3.3508 2 2 3 26.63 1.40 3.3473 0 0 9 26.77 6.66 3.3305 3 1 2 26.77 6.19 3.3305 4 -1 2 27.77 30.20 3.2125 2 0 8 28.08 8.71 3.1778 0 3 6 28.08 4.16 3.1778 3 0 6 28.24 9.63 3.1598 2 1 7 28.24 9.66 3.1598 3 -1 7 29.50 9.56 3.0284 1 1 9 29.50 9.61 3.0284 2 -1 9 29.62 8.66 3.0160 0 4 2 30.08 35.30 2.9710 3 1 5 30.08 35.55 2.9710 4 -1 5 30.54 3.50 2.9274 1 2 8 30.54 3.21 2.9274 -1 3 8 30.82 5.21 2.9011 4 -2 6 30.82 5.51 2.9011 2 2 6 31.39 100.00 2.8495 4 0 4 32.24 1.68 2.7764 -2 5 2 32.24 1.67 2.7764 2 3 2 32.67 2.60 2.7412 0 4 5 33.10 11.13 2.7060 0 2 10 33.35 3.13 2.6869 1 4 0 33.35 2.88 2.6869 4 1 0 33.50 9.27 2.6752 -1 4 7 33.50 9.26 2.6752 1 3 7 33.89 4.95 2.6449 5 -2 4 33.89 5.10 2.6449 3 2 4 34.58 23.88 2.5940 0 3 9 34.58 3.51 2.5940 3 0 9 35.50 2.55 2.5290 2 1 10 35.50 2.47 2.5290 3 -1 10 35.77 7.66 2.5105 0 0 12 36.61 7.04 2.4544 0 5 1 36.89 1.42 2.4369 2 2 9 36.89 1.40 2.4369 4 -2 9 37.75 10.47 2.3833 0 4 8 37.97 3.35 2.3697 3 3 0 38.82 4.89 2.3201 -2 6 1 38.82 4.80 2.3201 2 4 1 39.57 1.67 2.2774 1 0 13 39.89 1.84 2.2597 -2 5 8 39.89 1.87 2.2597 2 3 8 39.90 1.44 2.2592 1 3 10 39.90 1.46 2.2592 -1 4 10 40.92 1.52 2.2056 5 1 1 40.92 1.64 2.2056 6 -1 1 41.26 4.42 2.1881 -1 6 2 41.26 4.50 2.1881 1 5 2 41.60 2.76 2.1707 6 -2 5 41.60 2.79 2.1707 4 2 5 41.96 18.98 2.1531 4 0 10 42.17 1.29 2.1430 6 -3 6 42.17 1.20 2.1430 3 3 6 42.28 1.80 2.1374 0 5 7 42.30 2.37 2.1365 3 1 11 42.30 2.32 2.1365 4 -1 11 42.61 2.68 2.1219 5 1 4 42.61 2.71 2.1219 6 -1 4 42.65 3.61 2.1197 0 1 14 43.93 1.13 2.0610 5 0 8 43.94 2.86 2.0606 5 -2 10 43.94 2.98 2.0606 3 2 10 44.17 1.62 2.0506 2 2 12 44.17 1.69 2.0506 4 -2 12 44.25 2.08 2.0469 -2 6 7 44.25 2.03 2.0469 2 4 7 44.88 1.87 2.0197 4 3 1 44.88 1.68 2.0197 7 -3 1 45.09 2.46 2.0106 0 6 3 45.84 7.13 1.9795 6 -2 8 45.84 7.13 1.9795 4 2 8 46.45 1.56 1.9549 4 3 4 46.45 1.57 1.9549 7 -3 4 46.98 2.66 1.9341 6 -3 9 46.98 2.57 1.9341 3 3 9 47.41 1.10 1.9176 1 3 13 47.41 1.04 1.9176 -1 4 13 47.89 2.23 1.8996 0 6 6 47.89 6.36 1.8996 6 0 6 48.58 1.82 1.8741 -1 7 1 48.58 1.87 1.8741 1 6 1 48.88 1.15 1.8633 6 1 2 48.88 1.16 1.8633 7 -1 2 48.94 1.16 1.8612 1 0 16 49.49 1.65 1.8416 2 4 10 49.49 1.63 1.8416 -2 6 10 49.68 3.24 1.8353 2 5 6 49.68 3.23 1.8353 -2 7 6 49.68 1.05 1.8353 5 2 6 49.68 1.03 1.8353 7 -2 6 49.70 1.26 1.8344 5 -1 12 49.70 1.28 1.8344 4 1 12 49.78 1.60 1.8318 4 3 7 49.78 1.51 1.8318 7 -3 7 50.70 1.14 1.8006 0 2 16 51.24 2.83 1.7827 5 1 10 51.24 2.63 1.7827 6 -1 10 51.41 20.02 1.7773 4 4 0 51.54 3.26 1.7733 6 -2 11 51.54 3.20 1.7733 4 2 11 51.84 10.09 1.7637 0 4 14 52.08 1.67 1.7560 3 5 1 52.08 1.61 1.7560 -3 8 1 52.32 1.21 1.7486 2 2 15 52.32 1.21 1.7486 4 -2 15 53.53 2.16 1.7118 -2 5 14 53.53 2.19 1.7118 2 3 14 54.05 2.50 1.6967 -2 8 2 54.05 2.54 1.6967 2 6 2 54.33 2.02 1.6885 0 7 5 54.79 5.57 1.6754 8 -4 6 54.79 5.59 1.6754 4 4 6 54.85 1.46 1.6737 0 0 18 55.97 2.74 1.6428 -2 8 5 55.97 2.71 1.6428 2 6 5 56.00 1.95 1.6420 2 4 13 56.00 1.94 1.6420 -2 6 13 56.49 1.94 1.6291 1 1 18 56.49 1.94 1.6291 2 -1 18 57.23 1.24 1.6098 1 7 3 57.23 1.20 1.6098 -1 8 3 57.37 11.96 1.6062 4 0 16 57.86 2.14 1.5935 -1 7 10 57.86 2.13 1.5935 1 6 10 58.05 1.19 1.5889 6 0 12 58.12 1.53 1.5872 8 -2 7 58.12 1.48 1.5872 6 2 7 58.41 1.14 1.5799 6 -2 14 58.41 1.14 1.5799 4 2 14 58.95 3.47 1.5667 5 -2 16 58.95 3.46 1.5667 3 2 16 59.60 1.39 1.5513 3 6 0 59.60 1.33 1.5513 6 3 0 59.63 1.00 1.5506 5 2 12 59.95 1.39 1.5431 9 -4 4 59.95 1.38 1.5431 5 4 4 59.98 2.64 1.5422 1 5 14 59.98 2.66 1.5422 -1 6 14 60.46 3.14 1.5312 8 0 2 60.75 1.24 1.5245 4 3 13 60.75 1.17 1.5245 7 -3 13 61.49 1.63 1.5080 0 8 4 62.05 2.54 1.4958 0 5 16 62.78 2.08 1.4800 5 3 11 62.78 2.10 1.4800 8 -3 11 63.56 1.61 1.4637 2 4 16 63.56 1.56 1.4637 -2 6 16 64.21 1.60 1.4506 8 -4 12 64.21 1.55 1.4506 4 4 12 64.97 1.17 1.4354 6 0 15 65.52 3.28 1.4247 8 0 8 65.67 2.08 1.4218 5 5 0 66.45 1.01 1.4070 2 5 15 66.45 1.02 1.4070 -2 7 15 66.49 1.02 1.4062 10 -4 2 66.74 1.51 1.4016 -1 9 5 66.74 1.52 1.4016 1 8 5 68.45 5.50 1.3706 0 8 10 68.60 4.20 1.3680 10 -5 6 68.60 4.22 1.3680 5 5 6 69.40 3.31 1.3542 0 3 21 69.47 4.34 1.3530 0 4 20 70.03 1.66 1.3435 8 2 0 70.03 1.65 1.3435 2 8 0 70.44 1.06 1.3367 0 2 22 70.75 1.02 1.3316 8 2 3 70.75 1.03 1.3316 10 -2 3 72.94 2.18 1.2970 0 6 18 74.98 1.07 1.2666 -4 11 3 74.98 1.06 1.2666 4 7 3 75.78 1.48 1.2552 0 0 24 79.44 1.69 1.2064 0 10 5 81.37 1.15 1.1826 0 2 25 85.12 1.17 1.1398 10 0 10 87.32 1.11 1.1167 10 -2 15 87.32 1.11 1.1167 8 2 15 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.