Kristiansenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090022 Ferraris G, Gula A, Ivaldi G, Nespolo M, Raade G Zeitschrift fur Kristallographie 216 (2001) 442-448 Crystal structure of kristiansenite: a case of class IIB twinning by metric merohedry Locality: amazonite pegmatite, Heftetjern, Tordal, Telemark, Norway CELL PARAMETERS: 10.0780 8.4370 13.3870 90.000 109.260 90.010 SPACE GROUP: C1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.39930 0.15230 0.13100 1.000 1.192 Ca 0.60060 0.14910 0.86140 1.000 1.255 Ca 0.10120 0.94840 0.36270 1.000 1.334 Ca -0.09950 0.94530 0.63400 1.000 1.279 Sn 0.14016 0.53380 0.38844 0.990 0.490 Fe 0.14016 0.53380 0.38844 0.010 0.490 Sn 0.64100 0.56330 0.88820 0.610 0.568 Sc 0.64100 0.56330 0.88820 0.390 0.568 Sn 0.35500 0.56310 0.10884 0.300 0.576 Sc 0.35500 0.56310 0.10884 0.500 0.576 Fe 0.35500 0.56310 0.10884 0.200 0.576 Sn 0.85430 0.53630 0.60890 0.170 0.742 Sc 0.85430 0.53630 0.60890 0.630 0.742 Fe 0.85430 0.53630 0.60890 0.200 0.742 Si 0.37350 0.76700 0.31970 1.000 0.616 Si 0.16530 0.87590 0.11620 1.000 0.537 Si 0.62850 0.76760 0.67910 1.000 0.687 Si 0.83270 0.87670 0.88190 1.000 0.553 Si 0.33200 0.22090 0.38110 1.000 0.553 Si 0.12850 0.33210 0.17740 1.000 0.545 Si 0.66520 0.22450 0.61520 1.000 0.545 Si 0.87100 0.33110 0.81850 1.000 0.608 O 0.41530 0.60960 0.26810 1.000 0.790 OH 0.51090 0.85320 0.40110 1.000 0.395 O 0.24920 0.73420 0.36940 1.000 0.790 O 0.30080 0.89480 0.22500 1.000 0.869 O 0.18630 0.02200 0.04490 1.000 0.869 O 0.17240 0.70360 0.06510 1.000 1.026 O 0.02560 0.89870 0.15310 1.000 0.790 O 0.74830 0.73780 0.62770 1.000 0.947 O 0.58280 0.61140 0.72980 1.000 0.869 O 0.69460 0.89650 0.77390 1.000 0.869 O 0.48730 0.84740 0.59290 1.000 0.790 O 0.81360 0.02500 -0.04640 1.000 0.790 O 0.82430 0.70160 -0.06850 1.000 0.869 O -0.02640 0.89470 0.84510 1.000 0.790 O 0.81120 0.57900 0.45340 1.000 0.790 O 0.47600 0.20490 0.35120 1.000 0.790 O 0.32240 0.39610 0.43160 1.000 0.790 O 0.19630 0.19920 0.27010 1.000 0.790 O 0.24030 0.37000 0.11690 1.000 0.474 O 0.08920 0.49280 0.23050 1.000 0.711 O -0.01580 0.25810 0.09250 1.000 1.026 O 0.19140 0.58040 0.54310 1.000 0.632 O 0.67030 0.39740 0.56230 1.000 0.790 O 0.52040 0.20630 0.64290 1.000 0.553 O 0.80170 0.19830 0.72420 1.000 0.790 O -0.08710 0.48850 0.76650 1.000 0.790 O 0.75710 0.36840 0.87730 1.000 0.790 OH 0.01400 0.25680 -0.09600 1.000 1.184 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 7 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 17.36308367 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.99 2.52 12.6377 0 0 1 14.02 6.99 6.3189 0 0 2 14.03 1.85 6.3118 1 1 0 14.24 5.78 6.2176 -1 1 1 14.25 6.42 6.2168 -1 -1 1 17.02 31.46 5.2101 1 -1 1 17.02 31.43 5.2093 1 1 1 17.55 3.95 5.0527 -1 -1 2 18.65 10.78 4.7570 2 0 0 19.30 30.16 4.5985 -2 0 2 21.06 6.44 4.2185 0 2 0 21.97 2.41 4.0453 1 -1 2 22.22 1.19 4.0014 0 2 1 22.67 7.79 3.9228 -1 1 3 22.67 7.79 3.9227 -1 -1 3 25.39 4.40 3.5086 0 -2 2 25.39 3.60 3.5084 0 2 2 26.92 3.61 3.3116 2 0 2 27.59 4.15 3.2333 -2 2 1 27.59 6.89 3.2327 -2 -2 1 27.92 4.08 3.1960 1 -1 3 27.92 3.60 3.1958 1 1 3 28.25 65.76 3.1594 0 0 4 28.27 1.50 3.1565 -2 2 0 28.28 1.05 3.1559 2 2 0 28.29 2.10 3.1548 -2 0 4 28.69 12.55 3.1119 -3 1 1 28.69 12.64 3.1115 -3 -1 1 28.72 50.55 3.1088 -2 2 2 28.72 49.45 3.1084 -2 -2 2 29.02 6.85 3.0774 -3 1 2 29.02 11.38 3.0771 -3 -1 2 29.98 1.64 2.9807 0 2 3 30.66 16.48 2.9161 2 -2 1 30.66 11.21 2.9156 2 2 1 31.04 1.49 2.8815 -3 1 3 31.04 1.28 2.8812 -3 -1 3 31.48 7.32 2.8421 -2 2 3 31.48 5.20 2.8418 -2 -2 3 33.06 2.72 2.7098 3 -1 1 33.06 2.70 2.7095 3 1 1 33.22 1.45 2.6971 -1 3 0 33.22 3.17 2.6968 1 3 0 33.31 1.20 2.6895 -1 3 1 34.41 5.38 2.6063 1 -1 4 34.41 8.70 2.6061 1 1 4 34.43 12.98 2.6051 2 -2 2 34.43 13.73 2.6047 2 2 2 34.48 6.65 2.6011 -3 1 4 34.48 4.05 2.6009 -3 -1 4 34.65 10.33 2.5888 1 -3 1 34.65 10.60 2.5885 1 3 1 35.24 3.59 2.5466 -1 -1 5 35.24 3.30 2.5466 -1 1 5 35.50 1.07 2.5289 0 -2 4 35.50 1.27 2.5288 0 2 4 37.23 1.62 2.4152 3 -1 2 37.82 15.41 2.3785 4 0 0 37.89 2.34 2.3744 -1 3 3 37.89 2.32 2.3744 -1 -3 3 39.02 1.11 2.3082 -3 1 5 39.02 1.19 2.3081 -3 -1 5 39.08 1.09 2.3047 2 0 4 39.18 1.96 2.2993 -4 0 4 40.55 1.29 2.2247 -2 2 5 40.55 2.65 2.2247 -2 -2 5 40.73 17.28 2.2154 -2 0 6 41.28 4.11 2.1871 1 -1 5 41.28 4.01 2.1870 1 1 5 41.65 1.47 2.1682 0 -2 5 41.66 1.82 2.1681 0 2 5 41.95 13.07 2.1535 -3 3 1 41.96 13.20 2.1531 -3 -3 1 41.96 1.07 2.1531 -1 -3 4 42.12 4.14 2.1455 -4 2 1 42.12 2.41 2.1452 -4 -2 1 42.74 1.30 2.1155 -4 2 3 42.75 2.19 2.1153 -4 -2 3 42.88 1.04 2.1093 0 4 0 42.94 2.15 2.1063 0 0 6 43.50 1.65 2.0805 0 -4 1 43.50 2.38 2.0805 0 4 1 43.69 4.74 2.0720 -4 2 0 43.69 5.06 2.0717 4 2 0 44.89 5.67 2.0190 -4 2 4 44.90 5.52 2.0188 -4 -2 4 45.20 2.08 2.0059 3 -3 1 45.21 1.60 2.0055 3 3 1 46.26 1.55 1.9625 1 3 4 46.29 6.94 1.9614 -2 2 6 46.29 6.38 1.9613 -2 -2 6 46.70 1.07 1.9452 -2 -4 1 47.14 2.88 1.9279 -5 1 1 47.14 2.73 1.9277 -5 -1 1 47.42 1.37 1.9173 -2 4 2 47.42 1.38 1.9171 -2 -4 2 48.25 5.12 1.8861 0 -4 3 48.25 3.95 1.8860 0 4 3 48.29 1.80 1.8845 0 -2 6 48.30 1.54 1.8844 0 2 6 49.37 2.14 1.8459 -1 -1 7 49.37 2.13 1.8459 -1 1 7 49.96 2.44 1.8255 -3 3 5 49.96 2.46 1.8254 -3 -3 5 50.12 2.30 1.8201 4 -2 2 50.13 2.01 1.8199 4 2 2 50.99 3.64 1.7910 2 -2 5 51.00 2.10 1.7908 2 2 5 51.83 1.40 1.7639 1 -3 5 51.84 1.59 1.7637 1 3 5 52.57 1.65 1.7408 -1 3 6 52.71 3.83 1.7367 3 -3 3 52.71 3.75 1.7364 3 3 3 53.04 2.76 1.7266 2 0 6 54.36 1.26 1.6878 -5 -1 6 54.46 4.66 1.6848 3 -1 5 54.46 4.79 1.6847 3 1 5 54.85 4.76 1.6738 -6 0 2 55.29 2.00 1.6615 -1 5 0 55.29 1.33 1.6614 1 5 0 55.50 4.41 1.6558 4 0 4 55.95 1.10 1.6433 1 -1 7 55.96 1.09 1.6433 1 1 7 56.26 5.61 1.6352 1 -5 1 56.26 5.87 1.6351 1 5 1 56.47 6.22 1.6295 -5 3 3 56.48 6.37 1.6292 -5 -3 3 56.96 1.26 1.6166 -4 4 2 57.22 1.15 1.6100 -4 4 1 57.69 2.11 1.5980 2 -2 6 57.69 2.22 1.5979 2 2 6 58.18 1.71 1.5857 6 0 0 58.42 3.06 1.5797 0 0 8 58.48 1.07 1.5783 -4 4 0 58.49 1.26 1.5780 4 4 0 58.51 2.50 1.5774 -4 0 8 58.53 2.48 1.5769 -1 5 3 58.53 2.46 1.5769 -1 -5 3 58.83 3.04 1.5697 -1 -3 7 58.83 3.01 1.5696 -1 3 7 59.40 2.27 1.5561 2 -4 4 59.40 3.65 1.5559 -6 2 2 59.40 1.93 1.5559 2 4 4 59.41 3.85 1.5557 -6 -2 2 59.75 1.19 1.5478 -3 3 7 59.75 1.42 1.5477 -3 -3 7 60.02 1.13 1.5414 4 -2 4 60.03 1.28 1.5412 4 2 4 60.39 5.31 1.5328 -6 0 6 60.64 1.93 1.5270 5 -1 3 60.65 1.86 1.5269 5 1 3 61.22 1.59 1.5140 5 -3 1 61.23 1.69 1.5138 5 3 1 61.33 1.07 1.5116 3 -1 6 61.54 2.90 1.5069 -3 5 1 61.55 1.21 1.5067 -1 5 4 61.55 3.09 1.5067 -3 -5 1 62.15 1.01 1.4936 -4 4 5 62.81 1.25 1.4794 0 2 8 62.90 4.74 1.4775 -4 2 8 62.91 4.35 1.4774 -4 -2 8 63.79 1.21 1.4591 1 1 8 64.77 2.63 1.4394 1 -3 7 64.77 2.44 1.4393 1 3 7 64.78 1.20 1.4391 -1 -1 9 64.78 1.13 1.4391 -1 1 9 65.80 1.10 1.4192 -7 1 3 65.81 1.02 1.4191 -7 -1 3 66.33 1.20 1.4092 -7 1 2 66.34 1.90 1.4091 -7 -1 2 66.49 2.01 1.4062 0 6 0 67.35 5.54 1.3903 -5 3 7 67.36 5.68 1.3902 -5 -3 7 67.78 1.18 1.3825 -7 1 1 67.79 1.24 1.3824 -7 -1 1 67.90 2.78 1.3804 -3 5 5 67.91 2.78 1.3803 -3 -5 5 69.46 3.10 1.3531 1 -5 5 69.47 3.32 1.3530 1 5 5 70.49 1.17 1.3360 2 4 6 70.51 1.56 1.3356 -2 0 10 72.62 1.78 1.3019 4 -2 6 72.63 1.60 1.3018 4 2 6 75.42 1.49 1.2603 6 0 4 75.57 1.85 1.2582 -8 0 4 77.37 1.06 1.2335 7 1 2 79.96 1.98 1.1998 -6 0 10 81.49 1.16 1.1811 -7 1 9 81.50 1.16 1.1811 -7 -1 9 83.04 1.39 1.1630 -1 7 3 83.04 1.27 1.1630 -1 -7 3 85.05 1.00 1.1405 3 -1 9 88.06 1.07 1.1092 -8 2 8 88.06 1.07 1.1091 -8 -2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.