Paulingite-Ca Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060457 Lengauer C L, Giester G, Tillmanns E Mineralogical Magazine 61 (1997) 591-606 Mineralogical characterization of paulingite from Vinaricka Hora, Czech Republic Locality: Vinaricka Hora, Czech Republic CELL PARAMETERS: 35.1000 35.1000 35.1000 90.000 90.000 90.000 SPACE GROUP: Im3m ATOM X Y Z OCCUPANCY ISO(B) Si 0.31415 0.25000 0.18585 0.730 1.216 Al 0.31415 0.25000 0.18585 0.270 1.216 Si 0.40239 0.25000 0.09761 0.730 1.326 Al 0.40239 0.25000 0.09761 0.270 1.326 Si 0.31326 0.24994 0.09777 0.730 1.295 Al 0.31326 0.24994 0.09777 0.270 1.295 Si 0.45599 0.10747 0.04451 0.730 1.437 Al 0.45599 0.10747 0.04451 0.270 1.437 Si 0.40182 0.17831 0.04459 0.730 1.382 Al 0.40182 0.17831 0.04459 0.270 1.382 Si 0.31241 0.17825 0.04496 0.730 1.295 Al 0.31241 0.17825 0.04496 0.270 1.295 Si 0.25946 0.10767 0.04451 0.730 1.176 Al 0.25946 0.10767 0.04451 0.270 1.176 Si 0.17112 0.10769 0.04405 0.730 1.326 Al 0.17112 0.10769 0.04405 0.270 1.326 O 0.16340 0.09380 0.00000 1.000 2.290 O 0.26830 0.09690 0.00000 1.000 2.053 O 0.30310 0.18780 0.00000 1.000 1.974 O 0.40870 0.18980 0.00000 1.000 3.000 O 0.44900 0.09620 0.00000 1.000 2.763 O 0.44930 0.37860 0.00000 1.000 2.369 O 0.07160 0.07160 0.16130 1.000 2.527 O 0.43030 0.43030 0.23150 1.000 2.606 O 0.14390 0.14390 0.05470 1.000 2.290 O 0.28600 0.28600 0.19610 1.000 2.685 O 0.28790 0.28790 0.08880 1.000 2.842 O 0.43020 0.43020 0.05360 1.000 2.921 O 0.21530 0.12230 0.04980 1.000 2.132 O 0.28780 0.14130 0.05920 1.000 2.685 O 0.35730 0.16810 0.05280 1.000 2.606 O 0.42680 0.14110 0.05720 1.000 3.158 O 0.29970 0.21630 0.06850 1.000 2.685 O 0.41560 0.21410 0.07060 1.000 2.685 O 0.35750 0.26170 0.09020 1.000 2.448 O 0.30750 0.23550 0.14170 1.000 2.053 Ca 0.17896 0.17896 0.17896 1.000 2.992 Ba 0.25711 0.25711 0.00000 0.750 3.900 K 0.39865 0.39865 0.14379 0.750 3.932 Ca 0.39865 0.39865 0.14379 0.146 3.932 Ba 0.39865 0.39865 0.14379 0.104 3.932 Ca 0.41910 0.28740 0.00000 0.188 11.844 Ca 0.17500 0.00000 0.00000 0.750 11.844 Na 0.25700 0.00000 0.00000 0.104 11.844 Wa 0.14080 0.14080 0.14080 1.000 6.790 Wa 0.21760 0.21760 0.21760 1.000 6.948 Wa 0.20820 0.20820 0.05000 1.000 5.606 Wa 0.35000 0.35000 0.19680 1.000 6.080 Wa 0.35180 0.35180 0.09190 0.750 5.922 Wa 0.21560 0.21560 0.13240 0.500 7.659 Wa 0.14330 0.14330 0.22260 0.500 7.185 Wa 0.33690 0.27370 0.00000 0.750 6.711 Wa 0.41000 0.00000 0.00000 0.250 15.002 Wa 0.46400 0.43300 0.14300 0.250 15.002 Wa 0.45500 0.00000 0.00000 0.500 15.002 Wa 0.31100 0.03000 0.00000 0.292 15.002 Wa 0.06130 0.06130 0.06130 0.250 8.606 Wa 0.02700 0.02700 0.12240 0.104 8.606 Wa 0.03020 0.03020 0.00000 0.125 8.606 Wa 0.29920 0.50000 0.00000 0.333 8.606 Wa 0.35920 0.35920 0.00000 0.417 8.606 Wa 0.45530 0.24650 0.02040 0.396 8.606 Wa 0.45440 0.28450 0.00000 0.354 8.606 Wa 0.32480 0.38560 0.02890 0.156 8.606 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 32 +/- 32 +/- 32 MAX. ABS. INTENSITY / VOLUME**2: 5.630510604 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 3.56 39.25 24.8194 1 1 0 5.04 30.62 17.5500 2 0 0 6.17 2.69 14.3295 2 1 1 7.12 32.40 12.4097 2 2 0 7.97 4.62 11.0996 3 1 0 8.73 5.65 10.1325 2 2 2 9.43 3.47 9.3809 3 2 1 10.69 99.97 8.2731 3 3 0 11.27 9.25 7.8486 4 2 0 11.83 2.69 7.4833 3 3 2 12.35 1.89 7.1648 4 2 2 12.86 3.05 6.8837 5 1 0 12.86 56.42 6.8837 4 3 1 13.82 2.21 6.4084 5 2 1 15.15 21.78 5.8500 6 0 0 15.15 1.78 5.8500 4 4 2 15.56 9.42 5.6940 6 1 1 15.56 20.48 5.6940 5 3 2 16.37 10.46 5.4160 5 4 1 16.75 14.56 5.2915 6 2 2 17.13 2.03 5.1752 6 3 1 17.87 19.87 4.9639 7 1 0 18.58 43.51 4.7765 6 3 3 18.92 13.73 4.6904 6 4 2 19.26 2.11 4.6089 7 3 0 20.24 7.87 4.3875 8 0 0 20.56 3.17 4.3205 5 5 4 20.87 3.04 4.2565 8 2 0 20.87 9.72 4.2565 6 4 4 21.18 3.22 4.1953 6 5 3 21.48 1.30 4.1366 8 2 2 21.78 7.12 4.0803 7 4 3 22.08 1.83 4.0262 6 6 2 22.66 4.33 3.9243 8 4 0 22.94 2.95 3.8761 9 1 0 22.94 12.36 3.8761 8 3 3 23.50 3.09 3.7849 6 5 5 24.05 6.25 3.6999 9 3 0 24.05 1.89 3.6999 8 5 1 24.05 1.21 3.6999 7 5 4 24.59 9.76 3.6203 9 3 2 24.85 38.88 3.5824 8 4 4 25.12 2.75 3.5456 8 5 3 25.89 4.36 3.4418 10 2 0 26.39 3.12 3.3775 6 6 6 26.64 31.88 3.3467 10 3 1 26.64 1.55 3.3467 9 5 2 27.37 30.17 3.2590 10 4 0 27.61 2.69 3.2312 9 6 1 28.08 6.76 3.1778 9 5 4 28.55 7.45 3.1270 11 2 1 28.55 25.05 3.1270 10 5 1 28.55 2.56 3.1270 9 6 3 28.78 2.53 3.1024 8 8 0 29.01 62.99 3.0785 11 3 0 29.01 1.95 3.0785 9 7 0 29.46 1.28 3.0322 10 5 3 29.90 20.74 2.9879 11 4 1 30.13 29.09 2.9665 10 6 2 30.78 1.97 2.9049 11 5 0 30.78 1.31 2.9049 9 7 4 31.21 5.50 2.8659 11 5 2 31.42 1.73 2.8470 10 6 4 31.63 1.79 2.8284 12 3 1 31.63 1.07 2.8284 9 8 3 32.05 2.48 2.7924 10 7 3 32.26 1.81 2.7749 12 4 0 32.67 2.97 2.7408 12 4 2 32.88 20.80 2.7243 11 6 3 33.08 2.26 2.7080 10 8 2 33.48 1.25 2.6763 10 6 6 33.88 1.53 2.6458 12 4 4 34.08 7.63 2.6309 9 9 4 34.08 2.82 2.6309 12 5 3 34.28 32.15 2.6162 10 8 4 34.47 1.31 2.6018 10 9 1 34.86 10.84 2.5737 11 7 4 35.25 1.79 2.5464 10 9 3 35.63 2.97 2.5200 13 4 3 35.63 6.77 2.5200 11 8 3 35.82 2.51 2.5071 14 0 0 36.00 2.03 2.4944 14 1 1 36.00 1.08 2.4944 13 5 2 36.19 1.64 2.4819 14 2 0 36.19 4.01 2.4819 10 10 0 36.56 1.48 2.4575 14 2 2 36.56 2.68 2.4575 10 10 2 36.75 1.07 2.4455 11 9 2 36.75 1.60 2.4455 10 9 5 37.66 1.02 2.3883 14 4 2 38.20 1.26 2.3558 14 5 1 38.38 1.57 2.3452 12 8 4 38.91 3.07 2.3144 14 5 3 39.09 2.52 2.3044 14 6 0 39.26 1.40 2.2946 13 7 4 39.44 4.38 2.2848 14 6 2 39.96 5.46 2.2563 11 11 0 40.30 1.17 2.2379 14 7 1 42.15 2.34 2.1441 14 6 6 42.96 1.70 2.1052 11 11 6 43.77 1.99 2.0683 12 12 0 43.93 1.17 2.0611 13 11 0 43.93 2.33 2.0611 12 11 5 44.25 5.40 2.0471 14 7 7 44.56 1.10 2.0333 17 3 0 44.72 1.29 2.0265 14 10 2 45.03 2.74 2.0131 12 12 4 45.19 4.58 2.0065 13 11 4 45.65 2.78 1.9871 14 10 4 46.12 1.03 1.9683 14 11 1 46.42 1.46 1.9560 13 12 3 46.73 2.28 1.9440 14 11 3 47.48 1.03 1.9149 16 8 4 48.52 1.20 1.8762 17 6 5 49.40 1.62 1.8448 19 1 0 50.41 1.24 1.8101 18 6 4 50.56 1.06 1.8053 19 4 1 51.41 2.46 1.7774 13 11 10 51.55 16.61 1.7728 14 14 0 51.83 5.34 1.7638 14 10 10 52.11 7.08 1.7550 20 0 0 52.39 1.08 1.7463 20 2 0 53.36 2.11 1.7168 20 3 3 54.73 3.87 1.6771 14 11 11 55.00 4.32 1.6695 21 1 0 55.27 2.57 1.6620 15 11 10 55.94 2.93 1.6437 14 14 8 56.21 2.25 1.6365 18 10 6 56.34 2.12 1.6330 19 10 1 56.61 1.43 1.6260 21 4 3 57.66 1.11 1.5988 19 11 0 57.79 2.30 1.5955 22 0 0 58.18 1.11 1.5857 15 12 11 58.18 2.59 1.5857 21 7 0 59.73 1.27 1.5482 19 12 3 60.75 5.31 1.5246 20 11 3 61.13 1.17 1.5161 18 14 4 62.01 3.38 1.4967 21 10 3 63.75 2.16 1.4600 21 11 4 64.85 2.13 1.4378 20 14 0 65.09 2.50 1.4330 22 10 4 66.31 1.78 1.4096 18 14 10 67.39 2.88 1.3896 21 14 1 68.46 2.70 1.3704 24 8 4 68.82 2.34 1.3642 21 11 10 69.29 1.82 1.3560 25 6 3 69.65 1.34 1.3500 24 10 0 69.88 2.63 1.3460 22 14 0 70.12 2.01 1.3421 22 10 10 70.94 1.19 1.3286 24 11 1 71.64 1.76 1.3173 23 10 9 73.26 1.16 1.2920 24 9 9 73.38 5.28 1.2903 24 10 8 73.72 1.04 1.2851 25 11 0 73.72 2.10 1.2851 24 11 7 75.33 1.30 1.2616 25 10 7 75.79 2.00 1.2552 25 11 6 75.90 1.07 1.2536 28 0 0 78.51 1.10 1.2183 25 14 3 78.73 1.05 1.2154 28 7 1 81.09 1.05 1.1859 22 14 14 81.43 1.57 1.1819 20 19 11 84.99 1.07 1.1412 21 21 8 86.88 1.04 1.1212 28 14 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.